IngredientID 19968

Genistein

C15H10O5

Relationship Network

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

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Experiment: 12Herb: 12Ingredient: 1Target: 12Links: 36

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 19968
Core Entity Id: 25374
Source Entity Count: 1
Preferred Name: Genistein
Name En
Pubchem Id: 5280961
Smiles Canonical: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
Molecular Formula: C15H10O5
Molecular Weight: 270.2400
Inchikey: TZBJGXHYKVUXJN-UHFFFAOYSA-N
Inchi: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Isomeric Smiles: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
Cas Id: 446-72-0
Ob Score: 17.9329
Mol Logp: 2.5768
Num H Donors: 3
Num H Acceptors: 5
Num Rotatable Bonds: 1
Drug Likeness: 0.6320
Polar Surface Area: 86.9900
Molecular Volume: 188.9900
Alogp: 2.1400

Names

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

Name

Genistein

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Genistein

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Genistein

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

genistein

Role

preferred

Source

TCMBank

Preferred

Yes

Name

4',5,7-Trihydroxyisoflavone

Role

alias

Source

HERB_v2

Preferred

Name

4',5,7-Trihydroxyisoflavone

Role

alias

Source

itcmdb_public

Preferred

Name

4,6,7-Trihydroxyisoflavone

Role

alias

Source

TCMBank

Preferred

Name

446-72-0

Role

alias

Source

TCMBank

Preferred

Name

446-72-0

Role

alias

Source

itcmdb_public

Preferred

Name

446-72-0

Role

alias

Source

HERB_v2

Preferred

Name

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-

Role

alias

Source

TCMBank

Preferred

Name

4′,5,7-Trihydroxyisoflavone

Role

alias

Source

TCMBank

Preferred

Name

5,7,4'-Trihydroxyisoflavone

Role

alias

Source

itcmdb_public

Preferred

Name

5,7,4'-Trihydroxyisoflavone

Role

alias

Source

HERB_v2

Preferred

Name

5,7,4'-Trihydroxyisoflavone

Role

alias

Source

TCMBank

Preferred

Name

5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE

Role

alias

Source

TCMBank

Preferred

Name

5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone

Role

alias

Source

TCMBank

Preferred

Name

5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

5-18-04-00594 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate

Role

alias

Source

TCMBank

Preferred

Name

ACon1_001065

Role

alias

Source

TCMBank

Preferred

Name

AIDS016499

Role

alias

Source

TCMBank

Preferred

Name

AIDS097204

Role

alias

Source

TCMBank

Preferred

Name

BRN 0263823

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_002375

Role

alias

Source

TCMBank

Preferred

Name

Bio1_000445

Role

alias

Source

TCMBank

Preferred

Name

Bio1_000934

Role

alias

Source

TCMBank

Preferred

Name

Bio1_001423

Role

alias

Source

TCMBank

Preferred

Name

Bonistein

Role

alias

Source

itcmdb_public

Preferred

Name

Bonistein

Role

alias

Source

HERB_v2

Preferred

Name

C.I. 75610

Role

alias

Source

TCMBank

Preferred

Name

C06563

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 7675

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:28088

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:74224

Role

alias

Source

TCMBank

Preferred

Name

Differenol A

Role

alias

Source

TCMBank

Preferred

Name

DivK1c_006401

Role

alias

Source

TCMBank

Preferred

Name

EINECS 207-174-9

Role

alias

Source

TCMBank

Preferred

Name

EU-0100520

Role

alias

Source

TCMBank

Preferred

Name

G6649_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

G6776_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

GEN

Role

alias

Source

TCMBank

Preferred

Name

Genisteol

Role

alias

Source

TCMBank

Preferred

Name

Genisteol

Role

alias

Source

itcmdb_public

Preferred

Name

Genisteol

Role

alias

Source

HERB_v2

Preferred

Name

Genisterin

Role

alias

Source

TCMBank

Preferred

Name

Genisterin

Role

alias

Source

itcmdb_public

Preferred

Name

Genisterin

Role

alias

Source

HERB_v2

Preferred

Name

Isoflavone, 4',5,7-trihydroxy-

Role

alias

Source

TCMBank

Preferred

Name

K00046

Role

alias

Source

TCMBank

Preferred

Name

KBio1_001345

Role

alias

Source

TCMBank

Preferred

Name

KBio2_000800

Role

alias

Source

TCMBank

Preferred

Name

KBio2_002564

Role

alias

Source

TCMBank

Preferred

Name

KBio2_003368

Role

alias

Source

TCMBank

Preferred

Name

KBio2_005132

Role

alias

Source

TCMBank

Preferred

Name

KBio2_005936

Role

alias

Source

TCMBank

Preferred

Name

KBio2_007700

Role

alias

Source

TCMBank

Preferred

Name

KBio3_001595

Role

alias

Source

TCMBank

Preferred

Name

KBio3_003042

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_002006

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_002564

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_000800

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_002573

Role

alias

Source

TCMBank

Preferred

Name

Lactoferrin-genistein

Role

alias

Source

TCMBank

Preferred

Name

Lopac-G-6649

Role

alias

Source

TCMBank

Preferred

Name

Lopac0_000520

Role

alias

Source

TCMBank

Preferred

Name

MEGxp0_000568

Role

alias

Source

TCMBank

Preferred

Name

MLS000738127

Role

alias

Source

TCMBank

Preferred

Name

MolMap_000022

Role

alias

Source

TCMBank

Preferred

Name

NCGC00015479-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00015479-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00025005-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00025005-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00025005-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00025005-05

Role

alias

Source

TCMBank

Preferred

Name

NCGC00025005-07

Role

alias

Source

TCMBank

Preferred

Name

NCI60_003369

Role

alias

Source

TCMBank

Preferred

Name

NPI 031L

Role

alias

Source

TCMBank

Preferred

Name

NSC 36586

Role

alias

Source

TCMBank

Preferred

Name

Oprea1_224620

Role

alias

Source

TCMBank

Preferred

Name

Oprea1_437815

Role

alias

Source

TCMBank

Preferred

Name

PTI G4660

Role

alias

Source

TCMBank

Preferred

Name

Prunetol

Role

alias

Source

TCMBank

Preferred

Name

Prunetol

Role

alias

Source

HERB_v2

Preferred

Name

Prunetol

Role

alias

Source

itcmdb_public

Preferred

Name

SIPI 807-1

Role

alias

Source

TCMBank

Preferred

Name

SMP1_000133

Role

alias

Source

TCMBank

Preferred

Name

SMR000112580

Role

alias

Source

TCMBank

Preferred

Name

SPBio_000636

Role

alias

Source

TCMBank

Preferred

Name

SPECTRUM210296

Role

alias

Source

TCMBank

Preferred

Name

ST056352

Role

alias

Source

TCMBank

Preferred

Name

STO514

Role

alias

Source

TCMBank

Preferred

Name

Sophoricol

Role

alias

Source

TCMBank

Preferred

Name

Sophoricol

Role

alias

Source

itcmdb_public

Preferred

Name

Sophoricol

Role

alias

Source

HERB_v2

Preferred

Name

SpecPlus_000305

Role

alias

Source

TCMBank

Preferred

Name

Spectrum2_000638

Role

alias

Source

TCMBank

Preferred

Name

Spectrum3_000678

Role

alias

Source

TCMBank

Preferred

Name

Spectrum4_001543

Role

alias

Source

TCMBank

Preferred

Name

Spectrum5_000106

Role

alias

Source

TCMBank

Preferred

Name

Spectrum_000320

Role

alias

Source

TCMBank

Preferred

Name

TNP00151

Role

alias

Source

TCMBank

Preferred

Name

Tocris-1110

Role

alias

Source

TCMBank

Preferred

Name

UPCMLD-DP096:001

Role

alias

Source

TCMBank

Preferred

Name

ZINC00041692

Role

alias

Source

TCMBank

Preferred

Name

cMAP_000086

Role

alias

Source

TCMBank

Preferred

Name

genistein

Role

alias

Source

TCMBank

Preferred

Name

genistein(1-)

Role

alias

Source

TCMBank

Preferred

Name

nchembio.2007.28-comp32

Role

alias

Source

TCMBank

Preferred

Name

nchembio.76-comp6

Role

alias

Source

TCMBank

Preferred

Name

非洲树紫藤/非洲紫藤木;攀援鱼藤;染料木;广布丁公藤;黄花木;极宽刺桐;槐角;黄羽扇豆;黑大豆;葛根;毒灰毛豆;柰园留草;山豆根;红车轴草

Role

TCM_name

Source

TCMBank

Preferred

Name

Bolusanthus speciosus

Role

TCM_name2

Source

TCMBank

Preferred

Name

葛根

Role

TCM_name

Source

TCMBank

Preferred

Name

葛根Pueraria lobata

Role

TCM_name2

Source

TCMBank

Preferred

Name

Radix Puerariae

Role

TCM_name_en

Source

TCMBank

Preferred

Name

1.解表药(28-28)

Role

level1_name

Source

TCMBank

Preferred

Name

exterior-releasing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

2.发散风热药(12-12)

Role

level2_name

Source

TCMBank

Preferred

Name

wind-heat dispersing

Role

level2_name_en

Source

TCMBank

Preferred

Name

骨碎补;淡豆豉

Role

TCM_name

Source

TCMBank

Preferred

Name

GU SUI BU

Role

TCM_name_en

Source

TCMBank

Preferred

Name

1.解表药(28-28)8.活血化瘀药(33-33)

Role

level1_name

Source

TCMBank

Preferred

Name

blood-activating and stasis-resolving medicinal;exterior-releasing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

3.活血疗伤药(9-9);2.发散风热药(12-12)

Role

level2_name

Source

TCMBank

Preferred

Name

blood-activating trauma-curing;wind-heat dispersing

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

4',5,7-Trihydroxyisoflavone4,6,7-Trihydroxyisoflavone446-72-04H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-4′,5,7-Trihydroxyisoflavone5,7,4'-Trihydroxyisoflavone5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one5-18-04-00594 (Beilstein Handbook Reference)5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olateACon1_001065AIDS016499AIDS097204BRN 0263823BSPBio_002375Bio1_000445Bio1_000934Bio1_001423BonisteinC.I. 75610C06563CCRIS 7675CHEBI:28088CHEBI:74224Differenol ADivK1c_006401EINECS 207-174-9EU-0100520G6649_SIGMAG6776_SIGMAGENGenisteolGenisterinIsoflavone, 4',5,7-trihydroxy-K00046KBio1_001345KBio2_000800KBio2_002564KBio2_003368KBio2_005132KBio2_005936KBio2_007700KBio3_001595KBio3_003042KBioGR_002006KBioGR_002564KBioSS_000800KBioSS_002573Lactoferrin-genisteinLopac-G-6649Lopac0_000520MEGxp0_000568MLS000738127MolMap_000022NCGC00015479-01NCGC00015479-02NCGC00025005-01NCGC00025005-02NCGC00025005-04NCGC00025005-05NCGC00025005-07NCI60_003369NPI 031LNSC 36586Oprea1_224620Oprea1_437815PTI G4660PrunetolSIPI 807-1SMP1_000133SMR000112580SPBio_000636SPECTRUM210296ST056352STO514SophoricolSpecPlus_000305Spectrum2_000638Spectrum3_000678Spectrum4_001543Spectrum5_000106Spectrum_000320TNP00151Tocris-1110UPCMLD-DP096:001ZINC00041692cMAP_000086genistein(1-)nchembio.2007.28-comp32nchembio.76-comp6非洲树紫藤/非洲紫藤木;攀援鱼藤;染料木;广布丁公藤;黄花木;极宽刺桐;槐角;黄羽扇豆;黑大豆;葛根;毒灰毛豆;柰园留草;山豆根;红车轴草Bolusanthus speciosus葛根葛根Pueraria lobataRadix Puerariae1.解表药(28-28)exterior-releasing medicinal2.发散风热药(12-12)wind-heat dispersing骨碎补;淡豆豉GU SUI BU1.解表药(28-28)8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal;exterior-releasing medicinal3.活血疗伤药(9-9);2.发散风热药(12-12)blood-activating trauma-curing;wind-heat dispersing

Cross References

Trusted external identifiers retained for this final record.

Cas

446-72-0

Hit

C0101

Herb

HBIN027456

Npass

NPC39426

Tcmid

8277

Tcmsp

MOL000481

Sym Map

SMIT00052

Tcm Id

106251062610627106281062910630113901139112971129721297312974129751297612977129781456214563145641456514566145671456814569147381491714918150941821018211182121821318214182151821618217182181821918220182211822218223182241910219103200732116922697226984137

Pub Chem

5280961

Tcmbank

TCMBANKIN037813TCMBANKIN052121TCMBANKIN057664TCMBANKIN057802

Itcmdb Generated

ITX-INGREDIENT-9D2B4B454594ITX-INGREDIENT-68655B6DB60BITX-INGREDIENT-1803884E1C88

Attributes

Merged source attributes and domain-specific metadata.

3.48418

2.01429

2.10138

Bic

0.71005

Cic

0.83774

Phi

2.9621

Sic

0.80616

Log D

1.192

Sc 0

Sc 1

Sc 2

Type

Blood ingredients,Other ingredients,QC ingredients

Alog P

2.14

Chi 0

14.2757

Chi 1

9.55855

Chi 2

9.01156

In Ch I

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

Mol Wt

270.24

Pmi X

71.7331

Cas Id

446-72-0

Energy

32.04

Sc 3 C

Sc 3 P

Smiles

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O

Zagreb

108

37 Flag

Chi 3 C

1.58602

Chi 3 P

7.49993

Chi V 0

10.1996

Chi V 1

5.82951

Chi V 2

4.3634

C Count

Kappa 1

14.9174

Kappa 2

6.01171

Kappa 3

2.9789

Mol Log P

2.576800000000001

N Count

O Count

P Count

Sc 3 Ch

S Count

Version

v1,v2

Alog P Mr

70.822

Chi 3 Ch

Dipole X

-2.60931

Dipole Y

2.17494

Dipole Z

-0.00023

Iac Mean

1.45914

In Ch Ikey

TZBJGXHYKVUXJN-UHFFFAOYSA-N

Is Chiral

Ob Score

17.93287817.9328782517.933

Suppress

Tcm Name

非洲树紫藤/非洲紫藤木;攀援鱼藤;染料木;广布丁公藤;黄花木;极宽刺桐;槐角;黄羽扇豆;黑大豆;葛根;毒灰毛豆;柰园留草;山豆根;红车轴草

Admet Bbb

-0.896

Chi V 3 C

0.54157

Chi V 3 P

3.01985

Es Sum D O

12.381

Es Sum T N

E Adj Equ

272.747

E Adj Mag

384

Hba Count

Hbd Count

Iac Total

43.7744

Jurs Rasa

0.54712

Jurs Rncg

0.19345

Jurs Rncs

9.94945

Jurs Rpcg

0.27527

Jurs Rpcs

2.06106

Jurs Rpsa

0.45287

Jurs Sasa

428.202

Jurs Tasa

234.28

Jurs Tpsa

193.922

Num Atoms

Num Bonds

Num Rings

Shadow Xy

74.6261

Shadow Xz

42.3881

Shadow Yz

20.375

Shadow Nu

4.44643

Tcm Name2

Bolusanthus speciosus

V Adj Equ

199.966

V Adj Mag

240.215

Mol2 Path

/TCM_database/5.理气药(22-22)/香橼/Citrus wilsonii Tanaka/Structures/genistein.mol2

Reference

2, 4, 5, 658, 3785, 3810, 4095, 4416, 4415, 4630, 4718, 4984, 5038, 5247, 5347

Chi V 3 Ch

Dipole Mag

3.39689

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

28.407

Es Sum Ss O

5.287

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

12.7101

Kappa 2 Am

4.66102

Kappa 3 Am

2.18419

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

8.4

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

0.242

Es Sum Aas N

Es Sum D Ch2

Es Sum Dds N

Es Sum Ds Ch

1.259

Es Sum Dss C

-0.146

Es Sum S Ch3

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

Jurs Dpsa 1

-278.939

Jurs Dpsa 3

75.1776

Jurs Fnsa 1

0.8257

Jurs Fnsa 2

-1.54051

Jurs Fnsa 3

-0.16096

Jurs Fpsa 1

0.17429

Jurs Fpsa 2

0.12692

Jurs Fpsa 3

0.0146

Jurs Pnsa 1

353.57

Jurs Pnsa 2

-659.648

Jurs Pnsa 3

-68.9232

Jurs Ppsa 1

74.6316

Jurs Ppsa 3

6.2544

Jurs Wnsa 1

151.4

Jurs Wnsa 2

-282.463

Jurs Wnsa 3

-29.5131

Jurs Wpsa 1

31.9574

Jurs Wpsa 3

2.67814

Num Pi Bonds

Tcm Name En

Radix Puerariae

Level1 Name

1.解表药(28-28)

Level2 Name

2.发散风热药(12-12)

Admet Psa 2 D

88.677

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

Es Sum Ss Nh2

Es Sum Sss Ch

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

2.14

Admet Ext Ppb

-4.84414

Drug Likeness

0.632

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

2.96092

Shadow Xyfrac

0.63832

Shadow Xzfrac

0.82456

Shadow Yzfrac

0.77492

Strain Energy

33.13

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

270.053

Molecular Sasa

433.411

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

15.1188

Shadow Ylength

7.73269

Shadow Zlength

3.40019

Level1 Name En

exterior-releasing medicinal

Level2 Name En

wind-heat dispersing

Admet Bbb Level

Isomeric Smiles

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O

Molecular Savol

388.762

Molecule Weight

270.25

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

0.402075

Admet Solubility

-2.743

Canonical Smiles

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O

Herb Alias Names

446-72-0Prunetol4',5,7-TrihydroxyisoflavoneGenisterinGenisteolSophoricol5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one5,7,4'-TrihydroxyisoflavoneBonistein

Minimized Energy

-1.09

Molecular Volume

188.99

Molecular Weight

270.24

Molecule Formula

C15H10O5

Num Macro Chains

Molecular Formula

C15H10O5

Molecular Formula

C15H10O5

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

156.026

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-2.344

Admet Ext Hepatotoxic

2.40333

Admet Unknown Alog P98

Molecular Surface Area

247.13

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

86.99

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.359

Admet Ext Ppb Applicability#Md

10.3302

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

8.29851

Admet Ext Ppb Applicability#Mdpvalue

0.804568

Molecular Fractional Polar Surface Area

0.352

Admet Ext Hepatotoxic Applicability#Md

7.2282

Admet Ext Cyp2 D6 Applicability#Mdpvalue

0.66575

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.988861