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ZINC Item

Suppliers, Protomers, & Similar Substances

6729882

Analogs

16691855
16691865
16691867
16691869
16691879

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-ethoxyphenyl)sulfonyl-methyl-amino]-N-phenyl-acetamide 2-[(4-ethoxyphenyl)sulfonyl-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)	2.85	-3.6	-13.76	1	6	0	75	348.424	7	↓ MOL2 SDF SMILES Flexibase

10506794

Analogs

16083912

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3,5-difluorophenyl)sulfonyl-methyl-amino]-acetamide N-[4-chloro-3-(trifluoromethyl)p…

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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	-0.22	-15.85	1	5	0	66	442.793	6	↓ MOL2 SDF SMILES Flexibase

10506902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3,5-difluorophenyl)sulfonyl-methyl-amino]-acetamide N-(5-chloro-2-methoxy-phenyl)-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)	3.34	-2.18	-12.4	1	6	0	75	404.822	6	↓ MOL2 SDF SMILES Flexibase

10508722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-difluorophenyl)sulfonylamino-N-(2,3,4-trifluorophenyl)-acetamide 2-(3,5-difluorophenyl)sulfonylam…

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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)	2.78	-1.78	-13.37	2	5	0	75	380.294	5	↓ MOL2 SDF SMILES Flexibase

10508862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-difluorophenyl)sulfonylamino-N-(2,6-dimethylphenyl)-acetamide 2-(3,5-difluorophenyl)sulfonylam…

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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)	2.30	4.55	-13.73	2	5	0	75	354.378	5	↓ MOL2 SDF SMILES Flexibase

10509482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-difluorophenyl)sulfonylamino-N-(2,4,6-trimethylphenyl)-acetamide 2-(3,5-difluorophenyl)sulfonylam…

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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)	2.70	-2.86	-13.64	2	5	0	75	368.405	5	↓ MOL2 SDF SMILES Flexibase

11541744

Analogs

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Popular Name: N-(4-ethylsulfonylphenyl)-2-(methyl-(p-tolylsulfonyl)amino)-acetamide N-(4-ethylsulfonylphenyl)-2-(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)	2.12	-6.98	-21.36	1	7	0	101	410.517	7	↓ MOL2 SDF SMILES Flexibase

11541746

Analogs

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Popular Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-(4-ethylsulfonylphenyl)-acetamide 2-[(4-chlorophenyl)sulfonyl-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)	2.35	-7.45	-19.68	1	7	0	101	430.935	7	↓ MOL2 SDF SMILES Flexibase

18949427

Analogs

23651576

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide 2-[[2-[(4-chlorophenyl)sulfonyl-…

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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	5.55	-13.13	2	7	0	96	463.865	8	↓ MOL2 SDF SMILES Flexibase

36101774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)sulfonylamino]-N-phenyl-acetamide 2-[(4-chlorophenyl)sulfonylamino…

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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)	2.86	3.42	-14.67	2	5	0	75	324.789	5	↓ MOL2 SDF SMILES Flexibase

36101776

Analogs

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Popular Name: 2-[(4-bromophenyl)sulfonylamino]-N-phenyl-acetamide 2-[(4-bromophenyl)sulfonylamino]…

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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)	2.99	3.52	-14.65	2	5	0	75	369.24	5	↓ MOL2 SDF SMILES Flexibase

36101778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-N-phenyl-acetamide 2-[(3,4-dimethylphenyl)sulfonyla…

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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)	3.00	4.12	-15.13	2	5	0	75	318.398	5	↓ MOL2 SDF SMILES Flexibase

36101792

Analogs

740079

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide N-phenyl-2-[(2,4,6-trimethylphen…

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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)	3.38	5.05	-13.94	2	5	0	75	332.425	5	↓ MOL2 SDF SMILES Flexibase

36101806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-phenyl-acetamide 2-[(3,4-dimethoxyphenyl)sulfonyl…

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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)	1.82	2.1	-17.26	2	7	0	94	350.396	7	↓ MOL2 SDF SMILES Flexibase

36112366

Analogs

34969145
34969146

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-fluoro-2-methyl-phenyl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide (2S)-N-(4-fluoro-2-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)	4.44	7.32	-13.41	2	5	0	75	392.496	7	↓ MOL2 SDF SMILES Flexibase

36112368

Analogs

34969145
34969146

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-fluoro-2-methyl-phenyl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide (2R)-N-(4-fluoro-2-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)	4.44	7.48	-17.8	2	5	0	75	392.496	7	↓ MOL2 SDF SMILES Flexibase

11997350

Analogs

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Popular Name: 2-[[2-(benzenesulfonamido)acetyl]amino]benzamide 2-[[2-(benzenesulfonamido)acetyl…

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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)	0.95	-7.8	-16.58	4	7	0	118	333.369	6	↓ MOL2 SDF SMILES Flexibase

20899015

Analogs

40160368

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(benzenesulfonamido)-N-(4-iodophenyl)-3-methyl-butanamide (2S)-2-(benzenesulfonamido)-N-(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)	4.00	6.16	-14.71	2	5	0	75	458.321	6	↓ MOL2 SDF SMILES Flexibase

12040393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)-2-(p-tolylsulfonylamino)propanamide N-(4-methylsulfanylphenyl)-2-(p-…

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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	-5.13	-14.61	2	5	0	75	364.492	6	↓ MOL2 SDF SMILES Flexibase

36332778

Analogs

16643249

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3,4-dipropoxyphenyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide (2R)-N-(3,4-dipropoxyphenyl)-4-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)	4.45	8.88	-20.5	2	7	0	94	494.679	14	↓ MOL2 SDF SMILES Flexibase

36332780

Analogs

16643249

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3,4-dipropoxyphenyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide (2S)-N-(3,4-dipropoxyphenyl)-4-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)	4.45	8.97	-16.09	2	7	0	94	494.679	14	↓ MOL2 SDF SMILES Flexibase

36333875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromo-2-chloro-phenyl)sulfonyl-methyl-amino]-N-(2-chlorophenyl)acetamide 2-[(4-bromo-2-chloro-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)	4.47	6.38	-14.02	1	5	0	66	452.157	5	↓ MOL2 SDF SMILES Flexibase

36333877

Analogs

6943966
7304026

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[(3,5-dichlorophenyl)sulfonyl-methyl-amino]acetamide N-(2-chlorophenyl)-2-[(3,5-dichl…

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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	6.57	-13.91	1	5	0	66	407.706	5	↓ MOL2 SDF SMILES Flexibase

36637058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzamide N-methyl-3-[[2-[methyl(p-tolylsu…

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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)	2.04	3.88	-22.85	2	7	0	96	375.45	6	↓ MOL2 SDF SMILES Flexibase

36637086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-N-methyl-benzamide 3-[[2-[(4-fluorophenyl)sulfonyl-…

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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)	1.76	3.25	-17.02	2	7	0	96	379.413	6	↓ MOL2 SDF SMILES Flexibase

12854210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-methyl-phenyl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetamide N-(4-bromo-2-methyl-phenyl)-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)	3.31	6.51	-15.98	1	6	0	90	422.304	5	↓ MOL2 SDF SMILES Flexibase

12854690

Analogs

18210591

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (2S)-N-(4-bromo-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)	3.47	4.52	-12.22	2	6	0	85	445.31	7	↓ MOL2 SDF SMILES Flexibase

36753679

Analogs

2835644

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide 2-[benzenesulfonyl(methyl)amino]…

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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)	2.05	4.05	-22.96	1	8	0	94	394.449	8	↓ MOL2 SDF SMILES Flexibase

36753682

Analogs

25526036

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-(2,4-dibromophenyl)acetamide 2-[benzenesulfonyl(methyl)amino]…

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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)	3.97	6.28	-14.95	1	5	0	66	462.163	5	↓ MOL2 SDF SMILES Flexibase

36753706

Analogs

16250179
6478212

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-(4-methyl-3-nitro-phenyl)acetamide 2-[benzenesulfonyl(methyl)amino]…

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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)	2.76	6.24	-15.37	1	8	0	112	363.395	6	↓ MOL2 SDF SMILES Flexibase

36753708

Analogs

9508255

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-(4-fluoro-3-nitro-phenyl)acetamide 2-[benzenesulfonyl(methyl)amino]…

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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)	2.47	5.64	-29.93	1	8	0	112	367.358	6	↓ MOL2 SDF SMILES Flexibase

36753728

Analogs

3524045

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide 2-[benzenesulfonyl(methyl)amino]…

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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	6.2	-22.09	1	5	0	66	386.445	7	↓ MOL2 SDF SMILES Flexibase

36754602

Analogs

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Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-(3-cyanophenyl)acetamide 2-[benzenesulfonyl(methyl)amino]…

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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)	2.15	5.3	-24.61	1	6	0	90	329.381	5	↓ MOL2 SDF SMILES Flexibase

53671651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[(2-methyl-4-nitro-phenyl)sulfonylamino]acetamide N-(4-chlorophenyl)-2-[(2-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)	3.19	5.03	-16.17	2	8	0	121	383.813	6	↓ MOL2 SDF SMILES Flexibase

53671655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[(2-fluoro-5-methyl-phenyl)sulfonylamino]acetamide N-(4-chlorophenyl)-2-[(2-fluoro-…

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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)	3.40	3.84	-14.07	2	5	0	75	356.806	5	↓ MOL2 SDF SMILES Flexibase

53671720

Analogs

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Popular Name: 2-[(2-chloro-4-fluoro-phenyl)sulfonylamino]-N-(4-chlorophenyl)acetamide 2-[(2-chloro-4-fluoro-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)	3.62	3.55	-12.05	2	5	0	75	377.224	5	↓ MOL2 SDF SMILES Flexibase

53671744

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]acetamide N-(4-chlorophenyl)-2-[(4-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)	3.19	4.75	-16.91	2	8	0	121	383.813	6	↓ MOL2 SDF SMILES Flexibase

53671745

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(4-nitrophenyl)sulfonylamino]acetamide N-(4-chlorophenyl)-2-[(4-nitroph…

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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	4.13	-17.94	2	8	0	121	369.786	6	↓ MOL2 SDF SMILES Flexibase

53671747

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(2,4-difluorophenyl)sulfonylamino]acetamide N-(4-chlorophenyl)-2-[(2,4-diflu…

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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	3.24	-12.85	2	5	0	75	360.769	5	↓ MOL2 SDF SMILES Flexibase

13010813

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-(isopentyl-(p-tolylsulfonyl)amino)acetamide N-(2,4-dimethoxyphenyl)-2-(isope…

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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)	4.57	7.22	-13.24	1	7	0	85	434.558	10	↓ MOL2 SDF SMILES Flexibase

22739078

Analogs

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Popular Name: 2-[allyl-(4-chlorophenyl)sulfonyl-amino]-N-(2-methoxy-5-methyl-phenyl)acetamide 2-[allyl-(4-chlorophenyl)sulfony…

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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	6.98	-12.46	1	6	0	76	408.907	8	↓ MOL2 SDF SMILES Flexibase

22739083

Analogs

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Popular Name: 2-[allyl-(4-chlorophenyl)sulfonyl-amino]-N-(o-tolyl)acetamide 2-[allyl-(4-chlorophenyl)sulfony…

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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)	4.14	7.7	-12.97	1	5	0	66	378.881	7	↓ MOL2 SDF SMILES Flexibase

22739092

Analogs

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Popular Name: 2-[allyl-(4-chlorophenyl)sulfonyl-amino]-N-(3-chloro-4-methoxy-phenyl)acetamide 2-[allyl-(4-chlorophenyl)sulfony…

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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	6.72	-17.54	1	6	0	76	429.325	8	↓ MOL2 SDF SMILES Flexibase

22739099

Analogs

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Popular Name: 2-[allyl-(4-chlorophenyl)sulfonyl-amino]-N-(3,5-dimethoxyphenyl)acetamide 2-[allyl-(4-chlorophenyl)sulfony…

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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	5.51	-16.48	1	7	0	85	424.906	9	↓ MOL2 SDF SMILES Flexibase

22739112

Analogs

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Popular Name: 2-[allyl-(4-chlorophenyl)sulfonyl-amino]-N-[4-(difluoromethoxy)phenyl]acetamide 2-[allyl-(4-chlorophenyl)sulfony…

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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	6.43	-17.73	1	6	0	76	430.86	9	↓ MOL2 SDF SMILES Flexibase

22739130

Analogs

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Popular Name: 2-[allyl-(4-methoxyphenyl)sulfonyl-amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide 2-[allyl-(4-methoxyphenyl)sulfon…

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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)	4.11	6.96	-18.29	1	6	0	76	442.509	10	↓ MOL2 SDF SMILES Flexibase

22739134

Analogs

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Popular Name: 2-[allyl-(4-methoxyphenyl)sulfonyl-amino]-N-isopropyl-N-phenyl-acetamide 2-[allyl-(4-methoxyphenyl)sulfon…

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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)	3.67	8.17	-12.73	0	6	0	67	402.516	9	↓ MOL2 SDF SMILES Flexibase

22739152

Analogs

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Popular Name: 2-[allyl-(4-methoxyphenyl)sulfonyl-amino]-N-(4-bromo-2-methyl-phenyl)acetamide 2-[allyl-(4-methoxyphenyl)sulfon…

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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	7.11	-15.1	1	6	0	76	453.358	8	↓ MOL2 SDF SMILES Flexibase

22739162

Analogs

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Popular Name: 2-[allyl-[2-(trifluoromethyl)phenyl]sulfonyl-amino]-N-(2-isopropyl-6-methyl-phenyl)acetamide 2-[allyl-[2-(trifluoromethyl)phe…

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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	10.28	-20.35	1	5	0	66	454.514	9	↓ MOL2 SDF SMILES Flexibase

22742092

Analogs

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Popular Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methyl-amino]-N-(p-tolyl)acetamide 2-[[4-chloro-3-(trifluoromethyl)…

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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	7.01	-12.68	1	5	0	66	420.84	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 4365
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 = 4365 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">
    window.zinc.embed('zinc-link', {
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