IngredientID 11332

L-

C6H14N4O2

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Experiment: 1Herb: 12Ingredient: 1Meta-analysis: 11Target: 12Links: 37

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 11332
Core Entity Id: 15763
Source Entity Count: 1
Preferred Name: L-
Name En
Pubchem Id: 1549073
Smiles Canonical: C(CC(C(=O)O)N)CN=C(N)N
Molecular Formula: C6H14N4O2
Molecular Weight: 174.2040
Inchikey: ODKSFYDXXFIFQN-BYPYZUCNSA-N
Inchi: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
Isomeric Smiles: C(C[C@@H](C(=O)O)N)CN=C(N)N
Cas Id
Ob Score: 47.6420
Mol Logp: -1.5481
Num H Donors: 4
Num H Acceptors: 3
Num Rotatable Bonds: 5
Drug Likeness: 0.1880
Polar Surface Area: 125.2200
Molecular Volume: 139.2500
Alogp: -5.1620

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Arginine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

L-Arginine

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Arginine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Arginine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Arginine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

L(+ )-arginine

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

L(+ )-arginine

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

L-

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

L-

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

L-

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

L-

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

L-(+)-Arginine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

L-Arginine

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

L-Arginine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

arginine

Role

preferred

Source

TCMBank

Preferred

Yes

Name

arginine

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

异叶假繁缕(太子参);小百部;半夏;苜蓿;胡卢巴

Role

TCM_name

Source

TCMBank

Preferred

Name

YI YE JIA FAN LV;XIAO BAI BU;BAN XIA;MU XU;HU LU BA

Role

TCM_name2

Source

TCMBank

Preferred

Name

Heterophylla Falsestarwort;Officinal Asparagus;Ternate Pinellia;Alfalfa;Common Fenugreek

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(+-)-Arginine

Role

alias

Source

TCMBank

Preferred

Name

(2S)-2-amino-5-(carbamimidamido)pentanoic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate

Role

alias

Source

itcmdb_public

Preferred

Name

(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate

Role

alias

Source

HERB_v2

Preferred

Name

(2S)-2-amino-5-guanidino-pentanoic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S)-2-amino-5-guanidino-valeric acid

Role

alias

Source

TCMBank

Preferred

Name

(2S)-N-[(1S)-1-[[(1S)-1-(acetylcarbamoyl)-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-hydroxy-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanamide

Role

alias

Source

TCMBank

Preferred

Name

Role

alias

Source

SymMap_v2

Preferred

Name

(L)-Arginine

Role

alias

Source

itcmdb_public

Preferred

Name

(S)-2-Amino-5-guanidinopentanoic acid

Role

alias

Source

HERB_v2

Preferred

Name

(S)-2-Amino-5-guanidinopentanoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(S)-2-Amino-5-guanidinovaleric acid

Role

alias

Source

TCMBank

Preferred

Name

(S)-2-amino-5-guanidinopentanoic acid

Role

alias

Source

TCMBank

Preferred

Name

1-Amino-4-guanidovaleric acid

Role

alias

Source

TCMBank

Preferred

Name

104352-01-4

Role

alias

Source

itcmdb_public

Preferred

Name

104352-01-4

Role

alias

Source

HERB_v2

Preferred

Name

11009_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

1119-34-2 (HYDROCHLORIDE)

Role

alias

Source

TCMBank

Preferred

Name

142-49-4

Role

alias

Source

TCMBank

Preferred

Name

17806-42-7

Role

alias

Source

HERB_v2

Preferred

Name

17806-42-7

Role

alias

Source

itcmdb_public

Preferred

Name

4-04-00-02648 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

4455-52-1

Role

alias

Source

TCMBank

Preferred

Name

7200-25-1

Role

alias

Source

TCMBank

Preferred

Name

74-79-3

Role

alias

Source

HERB_v2

Preferred

Name

74-79-3

Role

alias

Source

itcmdb_public

Preferred

Name

A4474_SIAL

Role

alias

Source

TCMBank

Preferred

Name

A5006_SIAL

Role

alias

Source

TCMBank

Preferred

Name

A8094_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

AC1ODX8E

Role

alias

Source

TCMBank

Preferred

Name

AC1ODX8E

Role

alias

Source

SymMap_v2

Preferred

Name

AI3-24165

Role

alias

Source

TCMBank

Preferred

Name

AIDS-121865

Role

alias

Source

TCMBank

Preferred

Name

ARGININE, CONJUGATE MONOACID, L-

Role

alias

Source

itcmdb_public

Preferred

Name

ARGININE, CONJUGATE MONOACID, L-

Role

alias

Source

HERB_v2

Preferred

Name

Arginina

Role

alias

Source

HERB_v2

Preferred

Name

Arginina

Role

alias

Source

itcmdb_public

Preferred

Name

Arginina [INN-Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Arginine (USP)

Role

alias

Source

TCMBank

Preferred

Name

Arginine (VAN)

Role

alias

Source

TCMBank

Preferred

Name

Arginine [USAN:INN]

Role

alias

Source

TCMBank

Preferred

Name

Arginine hydrochloride(USAN)

Role

alias

Source

TCMBank

Preferred

Name

Arginine, DL-

Role

alias

Source

TCMBank

Preferred

Name

Arginine, L- (8CI)

Role

alias

Source

TCMBank

Preferred

Name

Argininum [INN-Latin]

Role

alias

Source

TCMBank

Preferred

Name

BRN 1725413

Role

alias

Source

TCMBank

Preferred

Name

C00062

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 3609

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:16467

Role

alias

Source

TCMBank

Preferred

Name

CPSS

Role

alias

Source

itcmdb_public

Preferred

Name

CPSS

Role

alias

Source

HERB_v2

Preferred

Name

D02982

Role

alias

Source

TCMBank

Preferred

Name

DL-Arginine

Role

alias

Source

TCMBank

Preferred

Name

DTXSID201031042

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID201031042

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 200-811-1

Role

alias

Source

TCMBank

Preferred

Name

EINECS 230-571-3

Role

alias

Source

TCMBank

Preferred

Name

EU-0100077

Role

alias

Source

TCMBank

Preferred

Name

H-Arg-OH

Role

alias

Source

itcmdb_public

Preferred

Name

H-Arg-OH

Role

alias

Source

HERB_v2

Preferred

Name

HSDB 1429

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s

Role

alias

Source

TCMBank

Preferred

Name

L(+ )-arginine

Role

alias

Source

TCMBank

Preferred

Name

L-Arg

Role

alias

Source

TCMBank

Preferred

Name

L-Arg

Role

alias

Source

HERB_v2

Preferred

Name

L-Arg

Role

alias

Source

itcmdb_public

Preferred

Name

L-Arginin

Role

alias

Source

TCMBank

Preferred

Name

L-Arginine (9CI)

Role

alias

Source

TCMBank

Preferred

Name

L-Arginine (JP15)

Role

alias

Source

TCMBank

Preferred

Name

L-Arginine, conjugate acid (1:1)

Role

alias

Source

itcmdb_public

Preferred

Name

L-Arginine, conjugate acid (1:1)

Role

alias

Source

HERB_v2

Preferred

Name

L-Arginine, homopolymer

Role

alias

Source

TCMBank

Preferred

Name

L-Arginine, labeled with tritium

Role

alias

Source

TCMBank

Preferred

Name

L-Norvaline, 5-((aminoiminomethyl)amino)-

Role

alias

Source

TCMBank

Preferred

Name

L-Ornithine, N5-(aminoiminomethyl)-

Role

alias

Source

TCMBank

Preferred

Name

L-alpha-Amino-delta-guanidinovaleric acid

Role

alias

Source

TCMBank

Preferred

Name

L-arginine

Role

alias

Source

HERB_v2

Preferred

Name

Lopac-A-5006

Role

alias

Source

TCMBank

Preferred

Name

Lopac0_000077

Role

alias

Source

TCMBank

Preferred

Name

NCGC00015064-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00024715-01

Role

alias

Source

TCMBank

Preferred

Name

NSC 206269

Role

alias

Source

TCMBank

Preferred

Name

NSC203450 (HYDROCHLORIDE)

Role

alias

Source

TCMBank

Preferred

Name

NSC7914 (HYDROCHLORIDE)

Role

alias

Source

TCMBank

Preferred

Name

Pentanoic acid, 2-amino-5-((aminoiminomethyl)amino)-, (S)-

Role

alias

Source

TCMBank

Preferred

Name

Poly(L-arginine)

Role

alias

Source

TCMBank

Preferred

Name

Protonated arginine

Role

alias

Source

HERB_v2

Preferred

Name

Protonated arginine

Role

alias

Source

itcmdb_public

Preferred

Name

S-(+)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acid

Role

alias

Source

TCMBank

Preferred

Name

Tocris-0663

Role

alias

Source

TCMBank

Preferred

Name

W381918_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

[(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium

Role

alias

Source

SymMap_v2

Preferred

Name

[(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium

Role

alias

Source

TCMBank

Preferred

Name

[AMINO({[(4S)-4-AMMONIO-4-CARBAMOYLBUTYL]AMINO})METHYLIDENE]AZANIUM

Role

alias

Source

TCMBank

Preferred

Name

[AMINO({[(4S)-4-AMMONIO-4-CARBAMOYLBUTYL]AMINO})METHYLIDENE]AZANIUM

Role

alias

Source

SymMap_v2

Preferred

Name

arginine

Role

alias

Source

itcmdb_public

Preferred

Name

arginine

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

ArginineL-ArginineL(+ )-arginineL-(+)-Arginine异叶假繁缕(太子参);小百部;半夏;苜蓿;胡卢巴YI YE JIA FAN LV;XIAO BAI BU;BAN XIA;MU XU;HU LU BAHeterophylla Falsestarwort;Officinal Asparagus;Ternate Pinellia;Alfalfa;Common Fenugreek(+-)-Arginine(2S)-2-amino-5-(carbamimidamido)pentanoic acid(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate(2S)-2-amino-5-guanidino-pentanoic acid(2S)-2-amino-5-guanidino-valeric acid(2S)-N-[(1S)-1-[[(1S)-1-(acetylcarbamoyl)-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-[[(2S)-5-guanidino-2-hydroxy-pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanamide(L)-Arginine(S)-2-Amino-5-guanidinopentanoic acid(S)-2-Amino-5-guanidinovaleric acid1-Amino-4-guanidovaleric acid104352-01-411009_FLUKA1119-34-2 (HYDROCHLORIDE)142-49-417806-42-74-04-00-02648 (Beilstein Handbook Reference)4455-52-17200-25-174-79-3A4474_SIALA5006_SIALA8094_SIGMAAC1ODX8EAI3-24165AIDS-121865ARGININE, CONJUGATE MONOACID, L-ArgininaArginina [INN-Spanish]Arginine (USP)Arginine (VAN)Arginine [USAN:INN]Arginine hydrochloride(USAN)Arginine, DL-Arginine, L- (8CI)Argininum [INN-Latin]BRN 1725413C00062CCRIS 3609CHEBI:16467CPSSD02982DL-ArginineDTXSID201031042EINECS 200-811-1EINECS 230-571-3EU-0100077H-Arg-OHHSDB 1429InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/sL-ArgL-ArgininL-Arginine (9CI)L-Arginine (JP15)L-Arginine, conjugate acid (1:1)L-Arginine, homopolymerL-Arginine, labeled with tritiumL-Norvaline, 5-((aminoiminomethyl)amino)-L-Ornithine, N5-(aminoiminomethyl)-L-alpha-Amino-delta-guanidinovaleric acidLopac-A-5006Lopac0_000077NCGC00015064-01NCGC00024715-01NSC 206269NSC203450 (HYDROCHLORIDE)NSC7914 (HYDROCHLORIDE)Pentanoic acid, 2-amino-5-((aminoiminomethyl)amino)-, (S)-Poly(L-arginine)Protonated arginineS-(+)-2-Amino-5-[(aminoiminomethyl)amino]pentanoic acidTocris-0663W381918_ALDRICH[(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium[AMINO({[(4S)-4-AMMONIO-4-CARBAMOYLBUTYL]AMINO})METHYLIDENE]AZANIUM

Cross References

Trusted external identifiers retained for this final record.

Cas

142-49-4

Herb

HBIN016720HBIN032456HBIN032673HBIN032674

Npass

NPC254474NPC63318

Tcmid

16732504038336

Tcmsp

MOL000054

Sym Map

SMIT02735SMIT14369SMIT18757

Pub Chem

1549073287824443604976922052877026322

Tcmbank

TCMBANKIN030511TCMBANKIN054149TCMBANKIN057965

Drug Bank

DB00125

Etcm Ingredient

L(+)-ArginineL-L-(+)-ArginineL-Argininearginine

Itcmdb Generated

ITX-INGREDIENT-053CABCC7391ITX-INGREDIENT-0B0703289976ITX-INGREDIENT-4DC381F60136ITX-INGREDIENT-5C9F01DEB521ITX-INGREDIENT-75D4E1BB841EITX-INGREDIENT-91B861350187ITX-INGREDIENT-EF28D6CFBC9A

Attributes

Merged source attributes and domain-specific metadata.

3.08496

3.14938

3.36105

Bic

0.83367

Cic

0.5

Phi

5.1817

Sic

0.86052

Log D

-5.742

Sc 0

Sc 1

Sc 2

Type

Other ingredientsOther ingredients,Metabolic ingredients

Alog P

-5.162

Chi 0

9.56047

Chi 1

5.53658

Chi 2

4.8996

In Ch I

InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1

Mol Wt

174.204

Pmi X

22.9945

Energy

4.04

Sc 3 C

Sc 3 P

Smiles

C(CC(C(=O)O)N)CN=C(N)NCC(=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)ON([H])([H])C(=N[H])C([H])([H])N([H])C([H])([H])C([H])([H])[C@](N([H])[H])([H])C(=O)O[H]

Zagreb

Chi 3 C

0.97728

Chi 3 P

2.82901

Chi V 0

6.70883

Chi V 1

3.55732

Chi V 2

2.43542

Kappa 1

Kappa 2

6.50887

Kappa 3

7.43801

Mol Log P

-1.548099999999999-4.802199999999999

Sc 3 Ch

Version

v1,v2

Alog P Mr

37.881

Chi 3 Ch

Dipole X

-5.06748

Dipole Y

-0.23562

Dipole Z

-0.83342

Iac Mean

1.66918

In Ch Ikey

ODKSFYDXXFIFQN-BYPYZUCNSA-N

Is Chiral

Ob Score

47.64247.6420016747.642002

Suppress

Tcm Name

异叶假繁缕(太子参);小百部;半夏;苜蓿;胡卢巴

Chi V 3 C

0.27261

Chi V 3 P

1.26476

Es Sum D O

10.207

Es Sum T N

E Adj Equ

90.8347

E Adj Mag

122.211

Hba Count

Hbd Count

Iac Total

43.3987

Jurs Rasa

0.26995

Jurs Rncg

0.18102

Jurs Rncs

9.03879

Jurs Rpcg

0.55109

Jurs Rpcs

4.39241

Jurs Rpsa

0.73004

Jurs Sasa

354.3

Jurs Tasa

95.6444

Jurs Tpsa

258.656

Num Atoms

Num Bonds

Num Rings

Shadow Xy

50.8009

Shadow Xz

38.3775

Shadow Yz

17.837

Shadow Nu

3.14057

Tcm Name2

YI YE JIA FAN LV;XIAO BAI BU;BAN XIA;MU XU;HU LU BA

V Adj Equ

88.8118

V Adj Mag

98.1075

Mol2 Path

/TCM_database/2003_3d_all/595.mol2

Reference

658, 5508, 5521

Chi V 3 Ch

Dipole Mag

5.14095

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

6.832

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

8.37

Es Sum Ss O

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

11.02

Kappa 2 Am

5.6425

Kappa 3 Am

6.49908

Num Hdonors

Num Chains

Num Rings3

Num Rings4

Num Rings5

Num Rings6

Num Rings7

Num Rings8

Es Count D O

Es Count T N

Es Sum Aa Ch

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

Es Sum Aas N

Es Sum D Ch2

Es Sum Dds N

Es Sum Ds Ch

Es Sum Dss C

-0.988

Es Sum S Ch3

Es Sum S Nh2

10.251

Es Sum S Nh3

Es Sum Ss Nh

2.777

Es Sum Sss N

Jurs Dpsa 1

-235.952

Jurs Dpsa 3

81.1612

Jurs Fnsa 1

0.83298

Jurs Fnsa 2

-1.52083

Jurs Fnsa 3

-0.21356

Jurs Fpsa 1

0.16701

Jurs Fpsa 2

0.08342

Jurs Fpsa 3

0.01551

Jurs Pnsa 1

295.126

Jurs Pnsa 2

-538.827

Jurs Pnsa 3

-75.6634

Jurs Ppsa 1

59.1739

Jurs Ppsa 3

5.49772

Jurs Wnsa 1

104.563

Jurs Wnsa 2

-190.907

Jurs Wnsa 3

-26.8076

Jurs Wpsa 1

20.9653

Jurs Wpsa 3

1.94784

Num Pi Bonds

Tcm Name En

Heterophylla Falsestarwort;Officinal Asparagus;Ternate Pinellia;Alfalfa;Common Fenugreek

Admet Psa 2 D

127.094

Es Count Aa N

Es Count Aa O

Es Count D Nh

Es Count Dd C

Es Count Ds N

Es Count S Oh

Es Count Ss O

Es Count T Ch

Es Count Ts C

Es Sum Ss Ch2

1.057

Es Sum Ss Nh2

Es Sum Sss Ch

-0.844

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

-2.458

Admet Ext Ppb

-11.4464

Drug Likeness

0.1880.228

Es Count Aa Ch

Es Count Aa Nh

Es Count Aaa C

Es Count Aas C

Es Count Aas N

Es Count D Ch2

Es Count Dds N

Es Count Ds Ch

Es Count Dss C

Es Count S Ch3

Es Count S Nh2

Es Count S Nh3

Es Count Ss Nh

Es Count Sss N

Es Sum Sssss P

Num Hacceptors

Num Fragments

Num Hydrogens

Num Ring Bonds

Organic Count

Rad Of Gyration

2.67512

Shadow Xyfrac

0.62211

Shadow Xzfrac

0.71868

Shadow Yzfrac

0.68601

Strain Energy

3.34

Es Count Ss Ch2

Es Count Ss Nh2

Es Count Sss Ch

Es Count Sss Nh

Es Count Ssss C

Es Count Ssss N

Molecular Mass

174.112

Molecular Sasa

362.918

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

12.9502

Shadow Ylength

6.30558

Shadow Zlength

4.12349

Admet Bbb Level

Isomeric Smiles

C(C[C@@H](C(=O)O)N)CN=C(N)NC(C[C@@H](C(=O)[O-])N)C[NH+]=C(N)N

Molecular Savol

314.465

Molecule Weight

174.24

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

-4.49727

Admet Solubility

0.925

Canonical Smiles

C(CC(C(=O)O)N)CN=C(N)NC(CC(C(=O)[O-])N)C[NH+]=C(N)N

Herb Alias Names

L-arginine74-79-3L-(+)-Arginine(S)-2-Amino-5-guanidinopentanoic acidL-ArgH-Arg-OHL(+)-Arginine(L)-ArginineArginina

Minimized Energy

0.7

Molecular Weight

174.110

Molecular Volume

139.25

Molecular Weight

1465.7 g/mol174.2 g/mol174.201

Molecule Formula

C6H14N4O2

Num Macro Chains

Molecular Formula

C6H14N4O2

Molecular Formula

C56H112N36O11C6H14N4O2

Molecular Formula

C6H14N4O2

Num Rotatable Bonds

Num Aromatic Bonds

Num Aromatic Rings

Num Explicit Atoms

Num Explicit Bonds

Num Negative Atoms

Num Positive Atoms

Num Macro Residues

Num Ring Assemblies

Num Rotatable Bonds

Molecular Polar Sasa

248.043

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

0.167

Admet Ext Hepatotoxic

-9.08133

Admet Unknown Alog P98

Molecular Surface Area

205.15

Num Explicit Hydrogens

Num H Donors Lipinski

Num Pseudo Stereo Atoms

Admet Absorption Level

Admet Solubility Level

Admet Ext Ppb#Prediction

Num H Acceptors Lipinski

Molecular Polar Surface Area

125.22

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.683

Admet Ext Ppb Applicability#Md

13.3094

Fda Maximum Daily Dose (Fdamdd)

0.0140.016

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

17.4513

Admet Ext Ppb Applicability#Mdpvalue

0.001843

Molecular Fractional Polar Surface Area

0.61

Admet Ext Hepatotoxic Applicability#Md

8.57832

Admet Ext Cyp2 D6 Applicability#Mdpvalue

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.668468

Quantitative Estimate Of Drug Likeness（Qed）

0.1870.200