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ZINC Item

Suppliers, Protomers, & Similar Substances

12535810

Analogs

12535811

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[4-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide N-[(1R)-1-[4-[2-[1-(difluorometh…

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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)	3.60	9.85	-15.81	1	5	0	64	403.454	7	↓ MOL2 SDF SMILES Flexibase

12535811

Analogs

12535810

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[4-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide N-[(1S)-1-[4-[2-[1-(difluorometh…

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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)	3.60	9.84	-15.94	1	5	0	64	403.454	7	↓ MOL2 SDF SMILES Flexibase

12535898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]phenyl]propanamide N-[4-[2-[1-(difluoromethyl)benzi…

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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)	4.18	9.72	-14.51	1	5	0	64	389.427	7	↓ MOL2 SDF SMILES Flexibase

12537505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone 1-(3,4-difluorophenyl)-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)	3.82	9.93	-11.34	0	3	0	35	318.348	4	↓ MOL2 SDF SMILES Flexibase

12537537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]phenyl]acetamide N-[4-[2-(1H-benzimidazol-2-ylsul…

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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)	2.71	7.05	-14.63	2	5	0	75	325.393	5	↓ MOL2 SDF SMILES Flexibase

12537686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanone 1-(4-fluorophenyl)-2-[1-(2-metho…

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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)	3.71	9.84	-9.22	0	4	0	44	344.411	7	↓ MOL2 SDF SMILES Flexibase

12539490

Analogs

4289418
4484822

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methoxyphenyl)ethanone 2-[1-(2-methoxyethyl)benzimidazo…

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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	10.32	-12.57	0	5	0	53	356.447	8	↓ MOL2 SDF SMILES Flexibase

23018621

Analogs

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Popular Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide 2-[2-(2,5-dimethoxyphenyl)-2-oxo…

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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)	4.02	10.36	-17.4	0	8	0	91	491.635	11	↓ MOL2 SDF SMILES Flexibase

23025496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-N,N-dimethyl-benzimidazole-5-sulfonamide 1-butyl-2-[2-(2,5-dimethoxypheny…

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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)	4.33	10.15	-17.62	0	8	0	91	491.635	11	↓ MOL2 SDF SMILES Flexibase

23044064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[2-oxo-2-(2,4,5-trimethylpheny…

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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)	4.31	8.35	-16.62	2	6	0	95	431.583	7	↓ MOL2 SDF SMILES Flexibase

23044141

Analogs

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Popular Name: 2-[(1S)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1S)-2-(3-chlorophenyl)-1-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)	4.13	7.7	-17.15	2	6	0	95	437.974	7	↓ MOL2 SDF SMILES Flexibase

23044142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1R)-2-(3-chlorophenyl)-1-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)	4.13	7.7	-17.93	2	6	0	95	437.974	7	↓ MOL2 SDF SMILES Flexibase

23044188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[4-[2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]phenyl]butanamide 3-methyl-N-[4-[2-(1-propyl-5-sul…

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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)	3.94	7.43	-23.03	3	8	0	124	488.635	10	↓ MOL2 SDF SMILES Flexibase

23044189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]phenyl]propanamide N-[4-[2-(1-propyl-5-sulfamoyl-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)	3.17	6.06	-23.76	3	8	0	124	460.581	9	↓ MOL2 SDF SMILES Flexibase

23044226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1S)-1-methyl-2-oxo-2-(p-toly…

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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)	3.92	7.85	-17.66	2	6	0	95	417.556	7	↓ MOL2 SDF SMILES Flexibase

23044227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1R)-1-methyl-2-oxo-2-(p-toly…

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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)	3.92	7.85	-17.49	2	6	0	95	417.556	7	↓ MOL2 SDF SMILES Flexibase

23044238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1S)-2-(3,4-difluorophenyl)-1…

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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)	3.73	7.31	-17.73	2	6	0	95	439.509	7	↓ MOL2 SDF SMILES Flexibase

23044239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1R)-2-(3,4-difluorophenyl)-1…

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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)	3.73	7.31	-18.57	2	6	0	95	439.509	7	↓ MOL2 SDF SMILES Flexibase

23044259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1S)-2-(4-bromophenyl)-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)	4.28	7.81	-16.75	2	6	0	95	482.425	7	↓ MOL2 SDF SMILES Flexibase

23044260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1R)-2-(4-bromophenyl)-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)	4.28	7.81	-16.65	2	6	0	95	482.425	7	↓ MOL2 SDF SMILES Flexibase

23044317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1S)-2-(4-methoxyphenyl)-1-me…

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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)	3.53	6.52	-18.46	2	7	0	104	433.555	8	↓ MOL2 SDF SMILES Flexibase

23044318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1R)-2-(4-methoxyphenyl)-1-me…

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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)	3.53	6.52	-18.32	2	7	0	104	433.555	8	↓ MOL2 SDF SMILES Flexibase

23044350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1S)-2-(4-fluorophenyl)-1-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)	3.64	7.26	-17.15	2	6	0	95	421.519	7	↓ MOL2 SDF SMILES Flexibase

23044351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[(1R)-2-(4-fluorophenyl)-1-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)	3.64	7.26	-17.08	2	6	0	95	421.519	7	↓ MOL2 SDF SMILES Flexibase

23044395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[2-(4-chlorophenyl)-2-oxo-ethy…

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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)	3.79	6.9	-16.69	2	6	0	95	423.947	7	↓ MOL2 SDF SMILES Flexibase

23044538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-isopropylphenyl)-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-[2-(4-isopropylphenyl)-2-oxo-e…

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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)	4.62	8.31	-16.68	2	6	0	95	431.583	8	↓ MOL2 SDF SMILES Flexibase

23044572

Analogs

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Popular Name: 2-phenacylsulfanyl-1-propyl-benzimidazole-5-sulfonamide 2-phenacylsulfanyl-1-propyl-benz…

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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)	3.11	6.45	-15.74	2	6	0	95	389.502	7	↓ MOL2 SDF SMILES Flexibase

58006033

Analogs

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Popular Name: 2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(o-tolyl)ethanone 2-[(5-methyl-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)	4.32	9.49	-8.87	1	3	0	46	296.395	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.32	9.88	-32.33	2	3	1	47	297.403	4	↓ MOL2 SDF SMILES Flexibase

61440572

Analogs

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Popular Name: 2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(m-tolyl)ethanone 2-[(5-methyl-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)	4.34	9.49	-9.38	1	3	0	46	296.395	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.34	9.87	-33.31	2	3	1	47	297.403	4	↓ MOL2 SDF SMILES Flexibase

2796914

Analogs

5285478
39237923

Draw Identity 99% 90% 80% 70%

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Popular Name:

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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)	5.11	-0.21	-9.92	1	4	0	54	354.475	6	↓ MOL2 SDF SMILES Flexibase

4550153

Analogs

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Popular Name: 1-(3-methoxyphenyl)-2-[(5-methyl-1H-benzoimidazol-2-yl)sulfanyl]ethanone 1-(3-methoxyphenyl)-2-[(5-methyl…

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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)	3.95	8.12	-11.66	1	4	0	55	312.394	5	↓ MOL2 SDF SMILES Flexibase

4550215

Analogs

4855415
29060

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-butylbenzoimidazol-2-yl)sulfanyl-1-(4-fluorophenyl)-ethanone 2-(1-butylbenzoimidazol-2-yl)sul…

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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)	5.16	1.56	-8.92	0	3	0	34	342.439	7	↓ MOL2 SDF SMILES Flexibase

4550779

Analogs

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Popular Name: 2-(1H-benzoimidazol-2-ylsulfanyl)-1-(3-methoxyphenyl)-ethanone 2-(1H-benzoimidazol-2-ylsulfanyl…

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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)	3.53	-1.09	-11.44	1	4	0	54	298.367	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 102807
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 = 102807 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=102807&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": "102807"        

    });
</script>

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