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

52943461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-amino-(2-methoxy-5-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-amino-(2-methoxy-5-methyl…

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)	2.44	3.19	-57.97	5	5	1	86	284.339	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.44	2.86	-9.75	4	5	0	84	283.331	3	↓ MOL2 SDF SMILES Flexibase

52943462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-amino-(2-methoxy-5-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-amino-(2-methoxy-5-methyl…

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)	2.44	3.22	-58.17	5	5	1	86	284.339	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.44	2.88	-9.76	4	5	0	84	283.331	3	↓ MOL2 SDF SMILES Flexibase

52943873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-hydroxy-(2-methoxy-5-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-hydroxy-(2-methoxy-5-meth…

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)	2.40	2.87	-11.09	3	5	0	78	284.315	3	↓ MOL2 SDF SMILES Flexibase

52943874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-hydroxy-(2-methoxy-5-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-hydroxy-(2-methoxy-5-meth…

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)	2.40	2.82	-11.13	3	5	0	78	284.315	3	↓ MOL2 SDF SMILES Flexibase

52943926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-chloro-(2-methoxy-5-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-chloro-(2-methoxy-5-methy…

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)	3.64	6.48	-9.4	2	4	0	58	302.761	3	↓ MOL2 SDF SMILES Flexibase

52943927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-chloro-(2-methoxy-5-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-chloro-(2-methoxy-5-methy…

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)	3.64	6.1	-8.75	2	4	0	58	302.761	3	↓ MOL2 SDF SMILES Flexibase

52943940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-bromo-(2-methoxy-5-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-bromo-(2-methoxy-5-methyl…

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)	3.77	6.6	-9.12	2	4	0	58	347.212	3	↓ MOL2 SDF SMILES Flexibase

52943941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-bromo-(2-methoxy-5-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-bromo-(2-methoxy-5-methyl…

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)	3.77	6.18	-8.62	2	4	0	58	347.212	3	↓ MOL2 SDF SMILES Flexibase

19988287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-amino-(2,3-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-amino-(2,3-dichlorophenyl…

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	3.76	-69.74	5	4	1	76	309.176	2	↓ MOL2 SDF SMILES Flexibase

19988291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-amino-(2,3-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-amino-(2,3-dichlorophenyl…

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	3.78	-69.24	5	4	1	76	309.176	2	↓ MOL2 SDF SMILES Flexibase

62664959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-amino-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-amino-(5-fluoro-2-methyl-…

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)	2.55	3.53	-61.23	5	4	1	76	272.303	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.55	3.18	-10.16	4	4	0	75	271.295	2	↓ MOL2 SDF SMILES Flexibase

62664961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-amino-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-amino-(5-fluoro-2-methyl-…

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)	2.55	3.54	-62.35	5	4	1	76	272.303	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.55	3.22	-9.98	4	4	0	75	271.295	2	↓ MOL2 SDF SMILES Flexibase

62665247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(5-fluoro-2-methyl-phenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-(5-fluoro-2-methyl-phenyl…

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)	2.93	5.21	-54.32	4	4	1	65	286.33	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.93	4.41	-9.26	3	4	0	61	285.322	3	↓ MOL2 SDF SMILES Flexibase

62665249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(5-fluoro-2-methyl-phenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-(5-fluoro-2-methyl-phenyl…

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)	2.93	5.39	-55.17	4	4	1	65	286.33	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.93	4.46	-9.01	3	4	0	61	285.322	3	↓ MOL2 SDF SMILES Flexibase

62665570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-amino-(5-fluoro-2-methyl-phenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one 5-[(S)-amino-(5-fluoro-2-methyl-…

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)	3.29	4	-58.46	5	4	1	76	351.199	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.29	3.63	-8.89	4	4	0	75	350.191	2	↓ MOL2 SDF SMILES Flexibase

62665572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-amino-(5-fluoro-2-methyl-phenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one 5-[(R)-amino-(5-fluoro-2-methyl-…

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)	3.29	4.08	-57.75	5	4	1	76	351.199	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.29	3.74	-9	4	4	0	75	350.191	2	↓ MOL2 SDF SMILES Flexibase

62666057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(5-fluoro-2-methyl-phenyl)-hydroxy-methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-(5-fluoro-2-methyl-phenyl…

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)	2.51	3.17	-11.08	3	4	0	69	272.279	2	↓ MOL2 SDF SMILES Flexibase

62666059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(5-fluoro-2-methyl-phenyl)-hydroxy-methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-(5-fluoro-2-methyl-phenyl…

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)	2.51	3.26	-11.21	3	4	0	69	272.279	2	↓ MOL2 SDF SMILES Flexibase

62666233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-[(S)-(5-fluoro-2-methyl-phenyl)-hydroxy-methyl]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[(S)-(5-fluoro-2-methy…

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)	3.25	3.56	-9.48	3	4	0	69	351.175	2	↓ MOL2 SDF SMILES Flexibase

62666235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-[(R)-(5-fluoro-2-methyl-phenyl)-hydroxy-methyl]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[(R)-(5-fluoro-2-methy…

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)	3.25	3.57	-9.53	3	4	0	69	351.175	2	↓ MOL2 SDF SMILES Flexibase

62666284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-chloro-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-chloro-(5-fluoro-2-methyl…

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)	3.75	6.52	-10.01	2	3	0	49	290.725	2	↓ MOL2 SDF SMILES Flexibase

62666286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-chloro-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-chloro-(5-fluoro-2-methyl…

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)	3.75	6.69	-10.09	2	3	0	49	290.725	2	↓ MOL2 SDF SMILES Flexibase

62666359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-bromo-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-bromo-(5-fluoro-2-methyl-…

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)	3.88	6.61	-9.81	2	3	0	49	335.176	2	↓ MOL2 SDF SMILES Flexibase

62666361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-bromo-(5-fluoro-2-methyl-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-bromo-(5-fluoro-2-methyl-…

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)	3.88	6.77	-9.97	2	3	0	49	335.176	2	↓ MOL2 SDF SMILES Flexibase

63005662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-amino-(3,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-amino-(3,4,5-trifluorophe…

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)	2.36	3.25	-75.37	5	4	1	76	294.256	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.36	2.92	-13.7	4	4	0	75	293.248	2	↓ MOL2 SDF SMILES Flexibase

63005663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-amino-(3,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-amino-(3,4,5-trifluorophe…

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)	2.36	3.25	-75.35	5	4	1	76	294.256	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.36	2.92	-13.7	4	4	0	75	293.248	2	↓ MOL2 SDF SMILES Flexibase

63008386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-hydroxy-(3,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-hydroxy-(3,4,5-trifluorop…

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)	2.32	2.96	-15.08	3	4	0	69	294.232	2	↓ MOL2 SDF SMILES Flexibase

63008387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-hydroxy-(3,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-hydroxy-(3,4,5-trifluorop…

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)	2.32	2.96	-15.07	3	4	0	69	294.232	2	↓ MOL2 SDF SMILES Flexibase

63008472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-chloro-(3,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-chloro-(3,4,5-trifluoroph…

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)	3.55	6.13	-12.61	2	3	0	49	312.678	2	↓ MOL2 SDF SMILES Flexibase

63008473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-chloro-(3,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-chloro-(3,4,5-trifluoroph…

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)	3.55	6.13	-12.62	2	3	0	49	312.678	2	↓ MOL2 SDF SMILES Flexibase

63008516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-bromo-(3,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-bromo-(3,4,5-trifluorophe…

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)	3.68	6.19	-12.39	2	3	0	49	357.129	2	↓ MOL2 SDF SMILES Flexibase

63008517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-bromo-(3,4,5-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-bromo-(3,4,5-trifluorophe…

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)	3.68	6.19	-12.41	2	3	0	49	357.129	2	↓ MOL2 SDF SMILES Flexibase

37287739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-amino-(5-bromo-2-chloro-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-amino-(5-bromo-2-chloro-p…

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)	3.43	4	-59.25	5	4	1	76	353.627	2	↓ MOL2 SDF SMILES Flexibase

37287740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-amino-(5-bromo-2-chloro-phenyl)methyl]-1,3-dihydrobenzimidazol-2-one 5-[(R)-amino-(5-bromo-2-chloro-p…

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)	3.43	4.04	-58.86	5	4	1	76	353.627	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 37571
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 = 37571 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=37571&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": "37571"        

    });
</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