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)	4.64	-4.53	-19.98	2	6	0	85	462.98	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.64	-3.97	-56.65	1	6	-1	87	461.972	7	↓ MOL2 SDF SMILES Flexibase

12039635

Analogs

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Popular Name: 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(4-methylsulfanylphenyl)-benzamide 3-[(2-methoxyphenyl)sulfamoyl]-4…

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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	-3.66	-19.11	2	6	0	85	442.562	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.41	-3.11	-56.57	1	6	-1	87	441.554	7	↓ MOL2 SDF SMILES Flexibase

36339232

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-benzamide N-(3-chloro-2-methyl-phenyl)-5-[…

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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)	5.17	8.43	-11.09	2	5	0	75	432.904	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.17	8.54	-38.13	1	5	-1	77	431.896	5	↓ MOL2 SDF SMILES Flexibase

22654447

Analogs

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Popular Name: 5-[(2-fluorophenyl)sulfamoyl]-N-(3-isopropylphenyl)-2,3-dimethoxy-benzamide 5-[(2-fluorophenyl)sulfamoyl]-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.52	8.69	-16.42	2	7	0	94	472.538	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.52	8.76	-42.43	1	7	-1	96	471.53	8	↓ MOL2 SDF SMILES Flexibase

13258389

Analogs

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Popular Name: 2-[[4-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]benzoyl]amino]acetic 2-[[4-[[3-(allyl-phenyl-sulfamoy…

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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)	1.99	7.63	-60.16	2	9	-1	136	492.533	10	↓ MOL2 SDF SMILES Flexibase

13258400

Analogs

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Popular Name: 2-[[4-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]benzoyl]amino]acetic 2-[[4-[[3-(ethyl-phenyl-sulfamoy…

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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)	2.12	7.46	-58.42	2	9	-1	136	494.549	9	↓ MOL2 SDF SMILES Flexibase

13258594

Analogs

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Popular Name: 3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-4-methyl-benzoic 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)	4.75	9.86	-76.87	1	7	-1	107	449.508	8	↓ MOL2 SDF SMILES Flexibase

13258606

Analogs

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

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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)	4.76	8.68	-74.09	1	7	-1	107	457.915	6	↓ MOL2 SDF SMILES Flexibase

13258607

Analogs

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

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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)	4.88	9.61	-77.94	1	7	-1	107	451.524	7	↓ MOL2 SDF SMILES Flexibase

13258608

Analogs

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Popular Name: 3-[[3-[allyl-(4-chlorophenyl)sulfamoyl]benzoyl]amino]-4-methyl-benzoic 3-[[3-[allyl-(4-chlorophenyl)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)	5.42	10.05	-73.54	1	7	-1	107	483.953	8	↓ MOL2 SDF SMILES Flexibase

13259468

Analogs

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Popular Name: 3-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]benzoic 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)	4.35	8.62	-78.86	1	7	-1	107	435.481	8	↓ MOL2 SDF SMILES Flexibase

13259478

Analogs

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Popular Name: 3-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]benzoic 3-[[3-[(3-chlorophenyl)-methyl-s…

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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)	4.36	7.87	-83.15	1	7	-1	107	443.888	6	↓ MOL2 SDF SMILES Flexibase

13259479

Analogs

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

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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)	4.48	8.74	-76.7	1	7	-1	107	437.497	7	↓ MOL2 SDF SMILES Flexibase

13259480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-[allyl-(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic 3-[[3-[allyl-(4-chlorophenyl)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)	5.02	9.11	-77.99	1	7	-1	107	469.926	8	↓ MOL2 SDF SMILES Flexibase

13259685

Analogs

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Popular Name: 4-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]benzoic 4-[[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)	4.37	9.04	-64.72	1	7	-1	107	435.481	8	↓ MOL2 SDF SMILES Flexibase

13259695

Analogs

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

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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)	4.38	7.83	-70.62	1	7	-1	107	443.888	6	↓ MOL2 SDF SMILES Flexibase

13259696

Analogs

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

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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	8.87	-63.2	1	7	-1	107	437.497	7	↓ MOL2 SDF SMILES Flexibase

13259697

Analogs

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Popular Name: 4-[[3-[allyl-(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic 4-[[3-[allyl-(4-chlorophenyl)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)	5.05	9.14	-66.81	1	7	-1	107	469.926	8	↓ MOL2 SDF SMILES Flexibase

13260164

Analogs

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Popular Name: 2-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-5-chloro-benzoic 2-[[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)	5.16	9.49	-49.04	1	7	-1	107	469.926	8	↓ MOL2 SDF SMILES Flexibase

13260175

Analogs

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Popular Name: 5-chloro-2-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]benzoic 5-chloro-2-[[3-[(3-chlorophenyl)…

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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)	5.17	8.76	-49.5	1	7	-1	107	478.333	6	↓ MOL2 SDF SMILES Flexibase

13260176

Analogs

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Popular Name: 5-chloro-2-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]benzoic 5-chloro-2-[[3-(ethyl-phenyl-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)	5.29	9.61	-49.87	1	7	-1	107	471.942	7	↓ MOL2 SDF SMILES Flexibase

13260915

Analogs

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Popular Name: 2-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]-4,5-dimethoxy-benzoic 2-[[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)	4.13	8.62	-54.81	1	9	-1	125	495.533	10	↓ MOL2 SDF SMILES Flexibase

13260924

Analogs

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Popular Name: 2-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]-4,5-dimethoxy-benzoic 2-[[3-(ethyl-phenyl-sulfamoyl)-4…

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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)	4.26	8.34	-52.95	1	9	-1	125	497.549	9	↓ MOL2 SDF SMILES Flexibase

13261355

Analogs

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Popular Name: 2-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]benzoic 2-[[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)	4.50	8.96	-52.88	1	7	-1	107	435.481	8	↓ MOL2 SDF SMILES Flexibase

13261362

Analogs

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Popular Name: 2-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]benzoic 2-[[3-[(3-chlorophenyl)-methyl-s…

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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)	4.51	8.21	-53.33	1	7	-1	107	443.888	6	↓ MOL2 SDF SMILES Flexibase

13261363

Analogs

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Popular Name: 2-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]benzoic 2-[[3-(ethyl-phenyl-sulfamoyl)-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.64	9.09	-54.26	1	7	-1	107	437.497	7	↓ MOL2 SDF SMILES Flexibase

13261364

Analogs

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Popular Name: 2-[[3-[allyl-(4-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic 2-[[3-[allyl-(4-chlorophenyl)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)	5.18	9.64	-53.26	1	7	-1	107	469.926	8	↓ MOL2 SDF SMILES Flexibase

22765503

Analogs

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Popular Name: 2-chloro-N-(3-chloro-2-fluoro-phenyl)-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzamide 2-chloro-N-(3-chloro-2-fluoro-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)	5.25	8.23	-14.11	1	6	0	76	483.348	6	↓ MOL2 SDF SMILES Flexibase

22993689

Analogs

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Popular Name: 3-[(2-fluorophenyl)sulfamoyl]-N-(3-methanesulfonamido-4-methoxy-phenyl)benzamide 3-[(2-fluorophenyl)sulfamoyl]-N-…

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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)	2.90	2.68	-25.91	3	9	0	131	493.538	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.90	2.77	-98.62	1	9	-2	135	491.522	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.90	2.75	-61.87	2	9	-1	133	492.53	8	↓ MOL2 SDF SMILES Flexibase

22993793

Analogs

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Popular Name: N-(4-acetamido-3-methyl-phenyl)-2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzamide N-(4-acetamido-3-methyl-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)	4.20	7.94	-26.88	2	7	0	96	489.956	6	↓ MOL2 SDF SMILES Flexibase

22993808

Analogs

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Popular Name: N-(4-acetamido-3-methyl-phenyl)-2-methyl-5-(m-tolylsulfamoyl)benzamide N-(4-acetamido-3-methyl-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)	3.99	7.22	-22.77	3	7	0	104	451.548	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.99	7.29	-50.68	2	7	-1	106	450.54	6	↓ MOL2 SDF SMILES Flexibase

22993810

Analogs

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Popular Name: N-(4-acetamido-3-methyl-phenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide N-(4-acetamido-3-methyl-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)	3.33	6.22	-26.31	3	7	0	104	441.484	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.33	6.29	-54.62	2	7	-1	106	440.476	6	↓ MOL2 SDF SMILES Flexibase

22993814

Analogs

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Popular Name: N-ethyl-3-(methyl-phenyl-sulfamoyl)-N-(o-tolyl)benzamide N-ethyl-3-(methyl-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)	4.84	10.43	-13.8	0	5	0	58	408.523	6	↓ MOL2 SDF SMILES Flexibase

22993817

Analogs

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Popular Name: 2-chloro-N-ethyl-5-[(4-fluorophenyl)-methyl-sulfamoyl]-N-(o-tolyl)benzamide 2-chloro-N-ethyl-5-[(4-fluorophe…

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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)	5.63	11.49	-15.82	0	5	0	58	460.958	6	↓ MOL2 SDF SMILES Flexibase

23003402

Analogs

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Popular Name: N-(5-acetamido-2-fluoro-phenyl)-2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]benzamide N-(5-acetamido-2-fluoro-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)	3.92	7.27	-19.7	2	7	0	96	493.919	6	↓ MOL2 SDF SMILES Flexibase

13403762

Analogs

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Popular Name: (E)-3-[4-[[4-chloro-3-(methyl-phenyl-sulfamoyl)benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[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)	4.42	9.23	-63.57	1	7	-1	107	469.926	7	↓ MOL2 SDF SMILES Flexibase

13403766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[2-chloro-5-(methyl-phenyl-sulfamoyl)benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[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)	4.42	9.08	-60.6	1	7	-1	107	469.926	7	↓ MOL2 SDF SMILES Flexibase

13403770

Analogs

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Popular Name: (E)-3-[4-[[3-(methyl-phenyl-sulfamoyl)benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[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)	3.79	9.5	-67.25	1	7	-1	107	435.481	7	↓ MOL2 SDF SMILES Flexibase

13403829

Analogs

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Popular Name: (E)-3-[4-[[3-(ethyl-phenyl-sulfamoyl)benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[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)	4.16	9.71	-63.07	1	7	-1	107	449.508	8	↓ MOL2 SDF SMILES Flexibase

13404240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[3-(allyl-phenyl-sulfamoyl)benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[3-(allyl-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)	4.43	10.26	-63.46	1	7	-1	107	461.519	9	↓ MOL2 SDF SMILES Flexibase

13404286

Analogs

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Popular Name: (E)-3-[4-[[3-[(3-chlorophenyl)-methyl-sulfamoyl]benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[3-[(3-chlorophenyl)-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.44	9.05	-68.44	1	7	-1	107	469.926	7	↓ MOL2 SDF SMILES Flexibase

13404289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[3-(ethyl-phenyl-sulfamoyl)-4-methyl-benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[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)	4.56	10.09	-62.59	1	7	-1	107	463.535	8	↓ MOL2 SDF SMILES Flexibase

13404293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[3-[allyl-(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[3-[allyl-(4-chlorophe…

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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	10.34	-65.15	1	7	-1	107	495.964	9	↓ MOL2 SDF SMILES Flexibase

23039519

Analogs

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Popular Name: 2-chloro-N-(2,5-difluorophenyl)-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzamide 2-chloro-N-(2,5-difluorophenyl)-…

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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)	4.76	7.8	-15.38	1	6	0	76	466.893	6	↓ MOL2 SDF SMILES Flexibase

23039554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzamide N-(3-acetylphenyl)-3-[allyl-(4-f…

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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)	5.13	10.2	-29.56	1	6	0	84	486.952	8	↓ MOL2 SDF SMILES Flexibase

23039687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(3,4-difluorophenyl)-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzamide 2-chloro-N-(3,4-difluorophenyl)-…

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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)	4.76	7.64	-19.64	1	6	0	76	466.893	6	↓ MOL2 SDF SMILES Flexibase

23040170

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(3-fluoro-4-methyl-phenyl)-5-[(4-methoxyphenyl)-methyl-sulfamoyl]benzamide 2-chloro-N-(3-fluoro-4-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)	5.04	8.22	-18.69	1	6	0	76	462.93	6	↓ MOL2 SDF SMILES Flexibase

23042776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(4-fluorophenyl)-methyl-sulfamoyl]-N-methyl-N-phenyl-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)	4.85	9.3	-13.59	0	5	0	58	432.904	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 11834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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">
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