ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

12535903

Analogs

12535904

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(o-tolyl)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.60	8.93	-10.01	2	4	0	58	353.491	7	↓ MOL2 SDF SMILES Flexibase

12535904

Analogs

12535903

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(o-tolyl)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.60	9.39	-13.47	2	4	0	58	353.491	7	↓ MOL2 SDF SMILES Flexibase

12538601

Analogs

12538603

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxy-4-methyl-phenyl)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.21	6.97	-12	2	5	0	67	323.396	5	↓ MOL2 SDF SMILES Flexibase

12538603

Analogs

12538601

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxy-4-methyl-phenyl)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.21	6.97	-12.04	2	5	0	67	323.396	5	↓ MOL2 SDF SMILES Flexibase

12538808

Analogs

12538810

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenyl)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.41	7.36	-10.3	2	4	0	58	313.788	4	↓ MOL2 SDF SMILES Flexibase

12538810

Analogs

12538808

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenyl)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.41	7.36	-10.55	2	4	0	58	313.788	4	↓ MOL2 SDF SMILES Flexibase

12538935

Analogs

16645874
45901987
6160586

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.20	8.91	-13.2	2	4	0	58	339.464	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.20	9.26	-36.37	3	4	1	59	340.472	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.38	6.88	-27.71	3	4	1	63	340.472	7	↓ MOL2 SDF SMILES Flexibase

12539217

Analogs

12539220

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.81	6.22	-12.31	2	5	0	67	309.369	5	↓ MOL2 SDF SMILES Flexibase

12539220

Analogs

12539217

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.81	6.22	-12.1	2	5	0	67	309.369	5	↓ MOL2 SDF SMILES Flexibase

12539224

Analogs

12539226

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-5-methyl-phenyl)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.21	6.95	-11.73	2	5	0	67	323.396	5	↓ MOL2 SDF SMILES Flexibase

12539226

Analogs

12539224

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-5-methyl-phenyl)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.21	6.95	-11.59	2	5	0	67	323.396	5	↓ MOL2 SDF SMILES Flexibase

24992273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-phenyl-acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.05	8.34	-10.97	2	4	0	58	321.424	6	↓ MOL2 SDF SMILES Flexibase

24992276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-phenyl-acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.05	8.96	-15.16	2	4	0	58	321.424	6	↓ MOL2 SDF SMILES Flexibase

57995793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide N-[(1-ethylbenzimidazol-2-yl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.53	9.57	-13.1	1	4	0	47	361.367	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.53	10.05	-35.59	2	4	1	48	362.375	6	↓ MOL2 SDF SMILES Flexibase

57995796

Analogs

40192806
40192807
40192808
40192810
40192811

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[(1-et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.31	7.74	-16.77	1	6	0	65	353.422	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.31	8.23	-38.94	2	6	1	67	354.43	7	↓ MOL2 SDF SMILES Flexibase

57995799

Analogs

40192808
40192822
40192863

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide N-[(1-ethylbenzimidazol-2-yl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.29	7.66	-18.43	1	7	0	75	383.448	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	8.15	-41.99	2	7	1	76	384.456	8	↓ MOL2 SDF SMILES Flexibase

57995803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide 2-(3,4-dichlorophenyl)-N-[(1-eth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.95	9.51	-13.32	1	4	0	47	362.26	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.95	10	-36.67	2	4	1	48	363.268	5	↓ MOL2 SDF SMILES Flexibase

57996096

Analogs

40192823
40192867
40192868

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(difluoromethoxy)phenyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide 2-[4-(difluoromethoxy)phenyl]-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.28	8.13	-15.67	1	5	0	56	359.376	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.28	8.61	-37.16	2	5	1	57	360.384	7	↓ MOL2 SDF SMILES Flexibase

57996198

Analogs

40192822
40192854
40192857
40192858
40192863

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dimethoxyphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide 2-(2,4-dimethoxyphenyl)-N-[(1-et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.70	7.2	-14.46	1	6	0	65	353.422	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.70	7.69	-34.97	2	6	1	67	354.43	7	↓ MOL2 SDF SMILES Flexibase

57997590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide 2-(3-fluorophenyl)-N-[(1-methylb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.43	7.71	-13.63	1	4	0	47	297.333	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.43	8.14	-36.32	2	4	1	48	298.341	4	↓ MOL2 SDF SMILES Flexibase

69875718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-[(5-fluoro-1-methyl-benzimidazol-2-yl)methyl]acetamide 2-(4-ethoxyphenyl)-N-[(5-fluoro-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.86	7.94	-14.92	1	5	0	56	341.386	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.86	8.36	-39.44	2	5	1	57	342.394	6	↓ MOL2 SDF SMILES Flexibase

67446903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenyl-acetamide (2R)-2-methoxy-N-methyl-N-[(1-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.29	9.45	-11.97	0	5	0	47	323.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	9.81	-33.35	1	5	1	49	324.404	5	↓ MOL2 SDF SMILES Flexibase

67446904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenyl-acetamide (2S)-2-methoxy-N-methyl-N-[(1-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.29	9.44	-12.71	0	5	0	47	323.396	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	9.82	-32.83	1	5	1	49	324.404	5	↓ MOL2 SDF SMILES Flexibase

48930956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1H-benzimidazol-2-ylmethyl)-2-(2-chlorophenyl)acetamide N-(1H-benzimidazol-2-ylmethyl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.85	6.45	-11.46	2	4	0	58	299.761	4	↓ MOL2 SDF SMILES Flexibase

49573791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-(3,4,5-trimethoxyphenyl)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.69	8.57	-18.58	2	7	0	85	411.502	9	↓ MOL2 SDF SMILES Flexibase

49573792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-(3,4,5-trimethoxyphenyl)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.69	7.66	-14.54	2	7	0	85	411.502	9	↓ MOL2 SDF SMILES Flexibase

49573838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.20	8.32	-16.51	2	5	0	67	369.44	7	↓ MOL2 SDF SMILES Flexibase

49573853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-(3-fluoro-4-methoxy-phenyl)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.20	7.77	-13.47	2	5	0	67	369.44	7	↓ MOL2 SDF SMILES Flexibase

49573863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-acetyl-2-methoxy-phenyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]acetamide 2-(5-acetyl-2-methoxy-phenyl)-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.94	9.24	-16.98	2	6	0	84	393.487	8	↓ MOL2 SDF SMILES Flexibase

49573879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-acetyl-2-methoxy-phenyl)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]acetamide 2-(5-acetyl-2-methoxy-phenyl)-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.94	8.33	-13.82	2	6	0	84	393.487	8	↓ MOL2 SDF SMILES Flexibase

49573918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-[3-(trifluoromethyl)phenyl]acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.93	9.97	-13.6	2	4	0	58	389.421	7	↓ MOL2 SDF SMILES Flexibase

49573929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-[3-(trifluoromethyl)phenyl]acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.93	9.41	-10.67	2	4	0	58	389.421	7	↓ MOL2 SDF SMILES Flexibase

49574791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-(3,4-dimethylphenyl)acetamide N-[(1S)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.88	10.71	-12.46	2	4	0	58	349.478	6	↓ MOL2 SDF SMILES Flexibase

49574793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-2-(3,4-dimethylphenyl)acetamide N-[(1R)-1-(1H-benzimidazol-2-yl)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.88	9.76	-8.84	2	4	0	58	349.478	6	↓ MOL2 SDF SMILES Flexibase

49574795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-acetamidophenyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]acetamide 2-(4-acetamidophenyl)-N-[(1S)-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.27	8.34	-20.21	3	6	0	87	378.476	7	↓ MOL2 SDF SMILES Flexibase

49574798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-acetamidophenyl)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]acetamide 2-(4-acetamidophenyl)-N-[(1R)-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.27	7.44	-15.93	3	6	0	87	378.476	7	↓ MOL2 SDF SMILES Flexibase

49580874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-nitrophenyl)acetamide N-(1H-benzimidazol-2-ylmethyl)-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.18	6.74	-16.95	2	7	0	104	310.313	5	↓ MOL2 SDF SMILES Flexibase

49580975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-fluorophenyl)-2-hydroxy-acetamide (2R)-N-(1H-benzimidazol-2-ylmeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.39	4.16	-12.64	3	5	0	78	299.305	4	↓ MOL2 SDF SMILES Flexibase

49580976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-fluorophenyl)-2-hydroxy-acetamide (2S)-N-(1H-benzimidazol-2-ylmeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.39	4.14	-11.88	3	5	0	78	299.305	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 102946
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 = 102946 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=102946&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": "102946"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations