ZINC 12

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)	3.98	5.09	-54.36	2	6	-1	98	474.356	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.98	5	-17.1	3	6	0	95	475.364	6	↓ MOL2 SDF SMILES Flexibase

17971295

Analogs

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Popular Name: 4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide 4-chloro-N-[(1S)-1-(2-methoxyphe…

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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)	4.53	6.64	-18.4	2	7	0	94	474.966	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.53	6.72	-52.46	1	7	-1	96	473.958	8	↓ MOL2 SDF SMILES Flexibase

17971299

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide 4-chloro-N-[(1R)-1-(2-methoxyphe…

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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)	4.53	6.64	-18.54	2	7	0	94	474.966	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.53	6.74	-52.62	1	7	-1	96	473.958	8	↓ MOL2 SDF SMILES Flexibase

17972424

Analogs

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Popular Name: 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide 4-chloro-3-[(4-methoxyphenyl)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)	4.17	9.2	-17.86	1	6	0	76	491.034	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.17	9.28	-52.82	0	6	-1	78	490.026	8	↓ MOL2 SDF SMILES Flexibase

36329594

Analogs

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Popular Name: 3-[allyl(phenyl)sulfamoyl]-N-benzyl-4-chloro-N-(2-methoxyethyl)benzamide 3-[allyl(phenyl)sulfamoyl]-N-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)	4.55	11.54	-14.39	0	6	0	67	499.032	11	↓ MOL2 SDF SMILES Flexibase

22652136

Analogs

16595659

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Popular Name: 5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(o-tolylmethyl)benzamide 5-[(2-fluorophenyl)sulfamoyl]-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)	4.13	7.65	-15.17	2	7	0	94	458.511	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.13	7.72	-41.97	1	7	-1	96	457.503	8	↓ MOL2 SDF SMILES Flexibase

12536204

Analogs

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Popular Name: N-benzyl-3-[(4-methoxyphenyl)sulfamoyl]-N-propyl-benzamide N-benzyl-3-[(4-methoxyphenyl)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)	3.98	9.24	-12.51	1	6	0	76	438.549	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.98	9.31	-42.16	0	6	-1	78	437.541	9	↓ MOL2 SDF SMILES Flexibase

12536315

Analogs

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Popular Name: N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]-N-propyl-benzamide N-benzyl-3-[(2-methoxyphenyl)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)	3.93	9.43	-12.3	1	6	0	76	438.549	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.93	9.49	-45.08	0	6	-1	78	437.541	9	↓ MOL2 SDF SMILES Flexibase

22696444

Analogs

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Popular Name: N-[(1R)-2-dimethylamino-1-phenyl-ethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-benzamide N-[(1R)-2-dimethylamino-1-phenyl…

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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)	4.41	10.34	-46.74	3	7	1	89	482.626	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.41	10.41	-68.8	2	7	0	91	481.618	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.41	8.28	-59.77	1	7	-1	90	480.61	10	↓ MOL2 SDF SMILES Flexibase

22696446

Analogs

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Popular Name: N-[(1S)-2-dimethylamino-1-phenyl-ethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-benzamide N-[(1S)-2-dimethylamino-1-phenyl…

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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)	4.41	10.09	-49.22	3	7	1	89	482.626	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.41	10.16	-74.55	2	7	0	91	481.618	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.41	7.78	-59.87	1	7	-1	90	480.61	10	↓ MOL2 SDF SMILES Flexibase

13014523

Analogs

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Popular Name: 4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide 4-chloro-3-[(4-chlorophenyl)-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)	4.99	8.81	-15.44	1	5	0	66	467.349	6	↓ MOL2 SDF SMILES Flexibase

13128529

Analogs

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Popular Name: 3-[allyl-(4-chlorophenyl)sulfamoyl]-N-[(3-chlorophenyl)methyl]benzamide 3-[allyl-(4-chlorophenyl)sulfamo…

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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	10.22	-15.85	1	5	0	66	475.397	8	↓ MOL2 SDF SMILES Flexibase

13256724

Analogs

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Popular Name: (3R)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(4-chlorophenyl)propanoic (3R)-3-[[3-(allyl-phenyl-sulfamo…

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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	11.11	-55.44	1	7	-1	107	497.98	10	↓ MOL2 SDF SMILES Flexibase

13256725

Analogs

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Popular Name: (3S)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(4-chlorophenyl)propanoic (3S)-3-[[3-(allyl-phenyl-sulfamo…

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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	10.41	-60.61	1	7	-1	107	497.98	10	↓ MOL2 SDF SMILES Flexibase

13257653

Analogs

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Popular Name: (3R)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[3-(allyl-phenyl-sulfamo…

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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)	3.12	10.66	-55.55	1	7	-1	107	481.525	10	↓ MOL2 SDF SMILES Flexibase

13257654

Analogs

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Popular Name: (3S)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[3-(allyl-phenyl-sulfamo…

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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)	3.12	9.96	-60.86	1	7	-1	107	481.525	10	↓ MOL2 SDF SMILES Flexibase

13257669

Analogs

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Popular Name: (3S)-3-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[3-[(3-chlorophenyl)-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)	3.13	8.8	-67.23	1	7	-1	107	489.932	8	↓ MOL2 SDF SMILES Flexibase

13257670

Analogs

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Popular Name: (3R)-3-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[3-[(3-chlorophenyl)-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)	3.13	9.47	-61.53	1	7	-1	107	489.932	8	↓ MOL2 SDF SMILES Flexibase

13257671

Analogs

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Popular Name: (3S)-3-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-3-(4-fluorophenyl)propanoic (3S)-3-[[3-(ethyl-phenyl-sulfamo…

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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)	3.25	9.7	-63.05	1	7	-1	107	483.541	9	↓ MOL2 SDF SMILES Flexibase

13257672

Analogs

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Popular Name: (3R)-3-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-3-(4-fluorophenyl)propanoic (3R)-3-[[3-(ethyl-phenyl-sulfamo…

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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)	3.25	10.41	-57.34	1	7	-1	107	483.541	9	↓ MOL2 SDF SMILES Flexibase

13258051

Analogs

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Popular Name: (3R)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[3-(allyl-phenyl-sulfamo…

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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)	3.41	11.27	-58.31	1	7	-1	107	477.562	10	↓ MOL2 SDF SMILES Flexibase

13258052

Analogs

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Popular Name: (3S)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[3-(allyl-phenyl-sulfamo…

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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)	3.41	10.58	-63.98	1	7	-1	107	477.562	10	↓ MOL2 SDF SMILES Flexibase

13258065

Analogs

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Popular Name: (3S)-3-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[3-[(3-chlorophenyl)-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)	3.42	9.41	-70.76	1	7	-1	107	485.969	8	↓ MOL2 SDF SMILES Flexibase

13258066

Analogs

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Popular Name: (3R)-3-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[3-[(3-chlorophenyl)-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)	3.42	10.07	-64.77	1	7	-1	107	485.969	8	↓ MOL2 SDF SMILES Flexibase

13258067

Analogs

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Popular Name: (3S)-3-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[3-(ethyl-phenyl-sulfamo…

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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)	3.54	10.31	-66.4	1	7	-1	107	479.578	9	↓ MOL2 SDF SMILES Flexibase

13258068

Analogs

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Popular Name: (3R)-3-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[3-(ethyl-phenyl-sulfamo…

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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)	3.54	11.02	-60.22	1	7	-1	107	479.578	9	↓ MOL2 SDF SMILES Flexibase

13259003

Analogs

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Popular Name: (3R)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(2-chlorophenyl)propanoic (3R)-3-[[3-(allyl-phenyl-sulfamo…

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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)	3.59	10.44	-57.34	1	7	-1	107	497.98	10	↓ MOL2 SDF SMILES Flexibase

13259004

Analogs

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Popular Name: (3S)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(2-chlorophenyl)propanoic (3S)-3-[[3-(allyl-phenyl-sulfamo…

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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)	3.59	11.24	-63.2	1	7	-1	107	497.98	10	↓ MOL2 SDF SMILES Flexibase

13261544

Analogs

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Popular Name: 4-[[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]methyl]benzoic 4-[[[3-(ethyl-phenyl-sulfamoyl)-…

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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)	4.20	8.87	-59.39	1	7	-1	107	451.524	8	↓ MOL2 SDF SMILES Flexibase

23038398

Analogs

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Popular Name: 2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]-N-(m-tolylmethyl)benzamide 2-chloro-5-[(4-fluorophenyl)-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)	4.73	9.16	-13.69	1	5	0	66	446.931	6	↓ MOL2 SDF SMILES Flexibase

24985925

Analogs

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Popular Name: N-benzyl-3-(methyl-phenyl-sulfamoyl)-N-sec-butyl-benzamide N-benzyl-3-(methyl-phenyl-sulfam…

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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)	4.50	11.13	-17.86	0	5	0	58	436.577	8	↓ MOL2 SDF SMILES Flexibase

24985929

Analogs

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Popular Name: N-benzyl-3-(methyl-phenyl-sulfamoyl)-N-sec-butyl-benzamide N-benzyl-3-(methyl-phenyl-sulfam…

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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)	4.50	11.19	-18	0	5	0	58	436.577	8	↓ MOL2 SDF SMILES Flexibase

13427141

Analogs

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Popular Name: (3R)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(4-methoxyphenyl)propanoic (3R)-3-[[3-(allyl-phenyl-sulfamo…

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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)	3.02	9.89	-58.4	1	8	-1	116	493.561	11	↓ MOL2 SDF SMILES Flexibase

13427143

Analogs

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Popular Name: (3S)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-(4-methoxyphenyl)propanoic (3S)-3-[[3-(allyl-phenyl-sulfamo…

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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)	3.02	9.19	-64.54	1	8	-1	116	493.561	11	↓ MOL2 SDF SMILES Flexibase

13427168

Analogs

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Popular Name: (3S)-3-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-3-(4-methoxyphenyl)propanoic (3S)-3-[[3-(ethyl-phenyl-sulfamo…

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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	8.94	-66.86	1	8	-1	116	495.577	10	↓ MOL2 SDF SMILES Flexibase

13427169

Analogs

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Popular Name: (3R)-3-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-3-(4-methoxyphenyl)propanoic (3R)-3-[[3-(ethyl-phenyl-sulfamo…

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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	9.65	-60.27	1	8	-1	116	495.577	10	↓ MOL2 SDF SMILES Flexibase

13427742

Analogs

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Popular Name: (3R)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-phenyl-propanoic (3R)-3-[[3-(allyl-phenyl-sulfamo…

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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)	2.96	10.75	-57.24	1	7	-1	107	463.535	10	↓ MOL2 SDF SMILES Flexibase

13427743

Analogs

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Popular Name: (3S)-3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-3-phenyl-propanoic (3S)-3-[[3-(allyl-phenyl-sulfamo…

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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)	2.96	9.47	-66.49	1	7	-1	107	463.535	10	↓ MOL2 SDF SMILES Flexibase

13427758

Analogs

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Popular Name: (3S)-3-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]-3-phenyl-propanoic (3S)-3-[[3-[(3-chlorophenyl)-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)	2.97	8.73	-70.45	1	7	-1	107	471.942	8	↓ MOL2 SDF SMILES Flexibase

13427759

Analogs

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Popular Name: (3R)-3-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]-3-phenyl-propanoic (3R)-3-[[3-[(3-chlorophenyl)-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)	2.97	9.39	-64.56	1	7	-1	107	471.942	8	↓ MOL2 SDF SMILES Flexibase

13427760

Analogs

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Popular Name: (3S)-3-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-3-phenyl-propanoic (3S)-3-[[3-(ethyl-phenyl-sulfamo…

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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)	3.09	9.64	-66.11	1	7	-1	107	465.551	9	↓ MOL2 SDF SMILES Flexibase

13427761

Analogs

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Popular Name: (3R)-3-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-3-phenyl-propanoic (3R)-3-[[3-(ethyl-phenyl-sulfamo…

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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)	3.09	10.62	-58.97	1	7	-1	107	465.551	9	↓ MOL2 SDF SMILES Flexibase

13427762

Analogs

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Popular Name: (3R)-3-[[3-[allyl-(4-chlorophenyl)sulfamoyl]benzoyl]amino]-3-phenyl-propanoic (3R)-3-[[3-[allyl-(4-chloropheny…

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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	10.98	-56.32	1	7	-1	107	497.98	10	↓ MOL2 SDF SMILES Flexibase

13427763

Analogs

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Popular Name: (3S)-3-[[3-[allyl-(4-chlorophenyl)sulfamoyl]benzoyl]amino]-3-phenyl-propanoic (3S)-3-[[3-[allyl-(4-chloropheny…

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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	10.09	-66.15	1	7	-1	107	497.98	10	↓ MOL2 SDF SMILES Flexibase

13429170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[benzyl-[4-chloro-3-(methyl-phenyl-sulfamoyl)benzoyl]amino]propanoic 3-[benzyl-[4-chloro-3-(methyl-ph…

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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)	3.44	10.86	-46.18	0	7	-1	98	485.969	9	↓ MOL2 SDF SMILES Flexibase

13429171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[benzyl-[2-chloro-5-(methyl-phenyl-sulfamoyl)benzoyl]amino]propanoic 3-[benzyl-[2-chloro-5-(methyl-ph…

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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)	3.44	10.9	-54.15	0	7	-1	98	485.969	9	↓ MOL2 SDF SMILES Flexibase

13429172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[benzyl-[3-(methyl-phenyl-sulfamoyl)benzoyl]amino]propanoic 3-[benzyl-[3-(methyl-phenyl-sulf…

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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)	2.81	11.06	-48.81	0	7	-1	98	451.524	9	↓ MOL2 SDF SMILES Flexibase

13429185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[benzyl-[3-(ethyl-phenyl-sulfamoyl)benzoyl]amino]propanoic 3-[benzyl-[3-(ethyl-phenyl-sulfa…

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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)	3.18	10.88	-48.93	0	7	-1	98	465.551	10	↓ MOL2 SDF SMILES Flexibase

13429264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]-benzyl-amino]propanoic 3-[[3-(allyl-phenyl-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)	3.45	11.48	-49.36	0	7	-1	98	477.562	11	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 17428
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 = 17428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=17428&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": "17428"        

    });
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