ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

33446182

Analogs

4844754

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-bromo-6-methoxy-phenyl] [4-[(Z)-2-(1H-benzimidazol-2-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	10.64	-15.45	1	6	0	88	412.243	5	↓ MOL2 SDF SMILES Flexibase

36117886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enenitrile (E)-2-(1H-benzimidazol-2-yl)-3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	6.94	-16.57	2	8	0	128	336.307	4	↓ MOL2 SDF SMILES Flexibase

11990326

Analogs

4423454

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-(1H-benzimidazol-2-yl)-3-(2,3,6-trichlorophenyl)prop-2-enenitrile (Z)-2-(1H-benzimidazol-2-yl)-3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.09	1.19	-6.96	1	3	0	52	348.62	2	↓ MOL2 SDF SMILES Flexibase

36329497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(2-hydroxy-3-methoxy-5-nitro-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile (Z)-3-(2-hydroxy-3-methoxy-5-nit…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.73	8.35	-13.87	1	8	0	117	350.334	4	↓ MOL2 SDF SMILES Flexibase

21540845

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylamino-3-nitro-phenyl)prop-2-enenitrile (E)-2-(1H-benzimidazol-2-yl)-3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	8.02	-15.79	2	7	0	110	319.324	4	↓ MOL2 SDF SMILES Flexibase

12401649

Analogs

33461989
40475274
4067470
4453123

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enenitrile (E)-2-(1H-benzimidazol-2-yl)-3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.77	1.49	-10.35	1	5	0	71	333.391	5	↓ MOL2 SDF SMILES Flexibase

12535804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(E)-2-cyano-2-(1-methylbenzimidazol-2-yl)vinyl]phenoxy]acetic 2-[2-[(E)-2-cyano-2-(1-methylben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	9.69	-53.29	0	6	-1	91	332.339	5	↓ MOL2 SDF SMILES Flexibase

12537690

Analogs

4423421

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-hexoxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile (E)-3-(4-hexoxyphenyl)-2-(1-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.96	13.1	-8.47	0	4	0	51	359.473	8	↓ MOL2 SDF SMILES Flexibase

13272816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(Z)-2-(5-bromo-2-fluoro-phenyl)-1-chloro-vinyl]-1-ethyl-benzimidazole-5-carboxylic 2-[(Z)-2-(5-bromo-2-fluoro-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.24	11.21	-53.81	0	4	-1	58	422.661	4	↓ MOL2 SDF SMILES Flexibase

13272817

Analogs

7488612

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(Z)-1-chloro-2-[4-(trifluoromethoxy)phenyl]vinyl]-1-ethyl-benzimidazole-5-carboxylic 2-[(Z)-1-chloro-2-[4-(trifluorom…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.49	10.34	-52.8	0	5	-1	67	409.771	6	↓ MOL2 SDF SMILES Flexibase

13403800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(Z)-2-(1H-benzimidazol-2-yl)vinyl]aniline 4-[(Z)-2-(1H-benzimidazol-2-yl)v…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	6.61	-9.07	3	3	0	55	235.29	2	↓ MOL2 SDF SMILES Flexibase

13403805

Analogs

5378329

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(Z)-2-(1H-benzimidazol-2-yl)vinyl]phenyl]acetamide N-[4-[(Z)-2-(1H-benzimidazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	7.65	-14.2	2	4	0	58	277.327	3	↓ MOL2 SDF SMILES Flexibase

23042635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(Z)-1-chloro-2-(2-fluorophenyl)vinyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide 2-[(Z)-1-chloro-2-(2-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	9	-14.1	0	5	0	55	407.898	5	↓ MOL2 SDF SMILES Flexibase

23043043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile (E)-3-(3-chloro-4-isopropoxy-5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.64	11.04	-11.05	0	5	0	60	381.863	5	↓ MOL2 SDF SMILES Flexibase

13425323

Analogs

4116354

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(3-allyl-5-ethoxy-4-hydroxy-phenyl)-2-(1H-benzimidazol-2-yl)prop-2-enenitrile (Z)-3-(3-allyl-5-ethoxy-4-hydrox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.08	9.22	-10.14	2	5	0	82	345.402	6	↓ MOL2 SDF SMILES Flexibase

13425338

Analogs

4116353

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-chloro-phenoxy]acetic 2-[4-[(Z)-2-(1H-benzimidazol-2-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	9.58	-53.3	1	6	-1	102	352.757	5	↓ MOL2 SDF SMILES Flexibase

24990328

Analogs

5070230
5070237

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-(difluoromethoxy)-4-methoxy-phenyl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile (E)-3-[3-(difluoromethoxy)-4-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	9.25	-11.39	0	5	0	60	355.344	5	↓ MOL2 SDF SMILES Flexibase

13426472

Analogs

4809643

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-(1H-benzimidazol-2-yl)-3-(3-prop-2-ynoxyphenyl)prop-2-enenitrile (Z)-2-(1H-benzimidazol-2-yl)-3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	9.87	-9.62	1	4	0	62	299.333	4	↓ MOL2 SDF SMILES Flexibase

24992073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile (E)-2-(1-methylbenzimidazol-2-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.42	9.52	-9.24	0	4	0	51	343.308	4	↓ MOL2 SDF SMILES Flexibase

13427217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-{4-nitrophenyl}-1-methylvinyl)-1H-benzimidazole 2-(2-{4-nitrophenyl}-1-methylvin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	9.49	-12.09	1	5	0	75	279.299	3	↓ MOL2 SDF SMILES Flexibase

4168001

Analogs

8017442
12419283
51105265
3902154

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-(1H-benzoimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]acetic 2-[4-[2-(1H-benzoimidazol-2-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	1.72	-58.44	1	7	-1	111	362.365	7	↓ MOL2 SDF SMILES Flexibase

4169984

Analogs

5068500
12343926

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(allyloxy)phenyl]-2-(1H-benzimidazol-2-yl)acrylonitrile 3-[2-(allyloxy)phenyl]-2-(1H-ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	1.39	-8.35	1	4	0	61	301.349	5	↓ MOL2 SDF SMILES Flexibase

4169992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)acrylonitrile 2-(1H-benzimidazol-2-yl)-3-(3-ch…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	-0.83	-11.44	2	5	0	81	325.755	3	↓ MOL2 SDF SMILES Flexibase

4170463

Analogs

12367931
16917182
45015870
3946878

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1H-benzoimidazol-2-yl)-3-(3-hydroxy-4-methoxy-phenyl)-prop-2-enenitrile 2-(1H-benzoimidazol-2-yl)-3-(3-h…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.72	5.57	-12.64	2	5	0	82	291.31	3	↓ MOL2 SDF SMILES Flexibase

4170892

Analogs

6645768
33909064
36089901

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-hydroxy-4-methoxy-phenyl)-2-(5-methyl-3H-benzoimidazol-2-yl)-prop-2-enenitrile 3-(3-hydroxy-4-methoxy-phenyl)-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	6.2	-12.6	2	5	0	82	305.337	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.15	6.22	-12.64	2	5	0	82	305.337	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	5.79	-46.48	1	5	-1	80	304.329	3	↓ MOL2 SDF SMILES Flexibase

4889302

Analogs

6294003

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1-butylbenzoimidazol-2-yl)vinyl]-N,N-dimethyl-aniline 4-[2-(1-butylbenzoimidazol-2-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.52	1.54	-10.04	0	3	0	21	319.452	6	↓ MOL2 SDF SMILES Flexibase

15938395

Analogs

8782299

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-(4-chlorophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile (Z)-3-(4-chlorophenyl)-2-(5-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.49	10.29	-7.73	1	3	0	52	293.757	2	↓ MOL2 SDF SMILES Flexibase

69263284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxy-phenyl]vinyl]-N,N-diethyl-3H-benzimidazole-5-sulfon 2-[(Z)-1-chloro-2-[4-(difluorome…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.43	7.88	-14.61	1	7	0	85	485.94	9	↓ MOL2 SDF SMILES Flexibase

66128604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)vinyl]benzoic 2-[(E)-2-cyano-2-(5-methyl-1H-be…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	9.48	-50.82	1	5	-1	93	302.313	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.15	9.08	-109.73	0	5	-2	91	301.305	3	↓ MOL2 SDF SMILES Flexibase

40771887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-5-carboxylic 2-[(E)-2-(3,4-dimethoxyphenyl)vi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	8.08	-53.31	1	6	-1	87	323.328	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.45	8.49	-60.21	2	6	0	89	324.336	5	↓ MOL2 SDF SMILES Flexibase

37232394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile (E)-3-(3-ethoxy-4-hydroxy-5-nitr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	8.53	-16.03	2	8	0	128	364.361	5	↓ MOL2 SDF SMILES Flexibase

39490611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-(1H-benzimidazol-2-yl)-3-(3,4-difluorophenyl)prop-2-enenitrile (Z)-2-(1H-benzimidazol-2-yl)-3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	9.22	-9.16	1	3	0	52	281.265	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 13615
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 13615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=13615&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "13615"        

    });
</script>

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