ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36105513

Analogs

36792620

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(benzenesulfonamido)-N-cyclohexyl-acetamide 2-(benzenesulfonamido)-N-cyclohe…

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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)	2.52	2.69	-14.14	2	5	0	75	296.392	5	↓ MOL2 SDF SMILES Flexibase

36105515

Analogs

36782155

Draw Identity 99% 90% 80% 70%

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

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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	3.91	-13.87	2	5	0	75	324.446	5	↓ MOL2 SDF SMILES Flexibase

36105530

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.72	4.84	-12.74	2	5	0	75	338.473	5	↓ MOL2 SDF SMILES Flexibase

36105539

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[(4-methoxy-2-methyl-phenyl)sulfonylamino]acetamide N-cyclohexyl-2-[(4-methoxy-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)	2.95	2.89	-13.71	2	6	0	85	340.445	6	↓ MOL2 SDF SMILES Flexibase

36105553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[(4-methoxy-2,5-dimethyl-phenyl)sulfonylamino]acetamide N-cyclohexyl-2-[(4-methoxy-2,5-d…

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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	3.63	-13.49	2	6	0	85	354.472	6	↓ MOL2 SDF SMILES Flexibase

36105565

Analogs

36782662

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-(m-tolylsulfonylamino)acetamide N-cyclohexyl-2-(m-tolylsulfonyla…

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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)	2.94	3.36	-13.89	2	5	0	75	310.419	5	↓ MOL2 SDF SMILES Flexibase

36105614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-tert-butylphenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(4-tert-butylphenyl)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)	4.22	5.01	-13.4	2	5	0	75	352.5	6	↓ MOL2 SDF SMILES Flexibase

36105623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(3-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)	3.17	3.21	-12.96	2	5	0	75	330.837	5	↓ MOL2 SDF SMILES Flexibase

36105626

Analogs

7608974

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chlorophenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(2-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)	3.15	2.75	-12.73	2	5	0	75	330.837	5	↓ MOL2 SDF SMILES Flexibase

36753714

Analogs

36753716
36753718
36753720

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]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)	3.25	5.64	-11.4	1	5	0	66	338.473	5	↓ MOL2 SDF SMILES Flexibase

36753716

Analogs

36753718
36753720
36753714

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]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)	3.25	6.43	-11.01	1	5	0	66	338.473	5	↓ MOL2 SDF SMILES Flexibase

36753718

Analogs

36753720
36753714
36753716

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]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)	3.25	5.81	-11.47	1	5	0	66	338.473	5	↓ MOL2 SDF SMILES Flexibase

36753720

Analogs

36753714
36753716
36753718

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzenesulfonyl(methyl)amino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]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)	3.25	6.03	-11.54	1	5	0	66	338.473	5	↓ MOL2 SDF SMILES Flexibase

22992277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide (2S)-2-[(2-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)	3.56	5.37	-13.7	2	5	0	75	424.46	7	↓ MOL2 SDF SMILES Flexibase

58310814

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.77	2.51	-11.61	2	5	0	75	332.372	5	↓ MOL2 SDF SMILES Flexibase

58324376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[(2,5-difluorophenyl)sulfonylamino]acetamide N-cyclohexyl-2-[(2,5-difluorophe…

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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)	2.77	2.51	-13.39	2	5	0	75	332.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	2.44	-48.88	1	5	-1	77	331.364	5	↓ MOL2 SDF SMILES Flexibase

58325425

Analogs

7608983

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[(3,5-difluorophenyl)sulfonylamino]acetamide N-cyclohexyl-2-[(3,5-difluorophe…

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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)	2.77	2.82	-12.69	2	5	0	75	332.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	2.44	-41.96	1	5	-1	77	331.364	5	↓ MOL2 SDF SMILES Flexibase

69049117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide N-[(1S,2R)-2-methylcyclohexyl]-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)	3.63	4.97	-15.15	2	5	0	75	378.416	6	↓ MOL2 SDF SMILES Flexibase

69049120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide N-[(1S,2S)-2-methylcyclohexyl]-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)	3.63	4.57	-15.62	2	5	0	75	378.416	6	↓ MOL2 SDF SMILES Flexibase

69049123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide N-[(1R,2R)-2-methylcyclohexyl]-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)	3.63	4.57	-15.65	2	5	0	75	378.416	6	↓ MOL2 SDF SMILES Flexibase

69049124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methylcyclohexyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide N-[(1R,2S)-2-methylcyclohexyl]-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)	3.63	4.97	-15.12	2	5	0	75	378.416	6	↓ MOL2 SDF SMILES Flexibase

69147396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide N-cyclohexyl-N-methyl-2-[[3-(tri…

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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	5.47	-16.06	1	5	0	66	378.416	6	↓ MOL2 SDF SMILES Flexibase

69147789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide N-cyclohexyl-2-[(2,3,5,6-tetrame…

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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)	4.10	5.25	-12.69	2	5	0	75	352.5	5	↓ MOL2 SDF SMILES Flexibase

69147806

Analogs

7608982

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromo-2,6-dichloro-phenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(4-bromo-2,6-dichloro-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)	4.54	4.54	-10.57	2	5	0	75	444.178	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.54	4.23	-43.03	1	5	-1	77	443.17	5	↓ MOL2 SDF SMILES Flexibase

37198777

Analogs

25145670
25513102
25513105
25513108
25513111

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]butanamide (2R)-2-[(4-bromophenyl)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)	4.49	6.23	-14.55	2	5	0	75	485.366	7	↓ MOL2 SDF SMILES Flexibase

41778162

Analogs

41778164

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanamide (2S)-N-cyclohexyl-2-[(2-fluoroph…

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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)	2.92	5.47	-18.66	2	5	0	75	388.53	8	↓ MOL2 SDF SMILES Flexibase

41778164

Analogs

41778162

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-butanamide (2R)-N-cyclohexyl-2-[(2-fluoroph…

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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)	2.92	5.18	-17.07	2	5	0	75	388.53	8	↓ MOL2 SDF SMILES Flexibase

41778218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide N-cyclohexyl-2-[[3-(trifluoromet…

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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)	3.39	3.71	-15.76	2	5	0	75	364.389	6	↓ MOL2 SDF SMILES Flexibase

41778224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide N-cyclohexyl-2-[[2-(trifluoromet…

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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)	3.37	4.27	-16.12	2	5	0	75	364.389	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.37	3.94	-50.84	1	5	-1	77	363.381	6	↓ MOL2 SDF SMILES Flexibase

41778277

Analogs

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Popular Name: 2-[(4-cyanophenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(4-cyanophenyl)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)	2.27	3.08	-16.27	2	6	0	99	321.402	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	2.7	-43.45	1	6	-1	101	320.394	5	↓ MOL2 SDF SMILES Flexibase

41778279

Analogs

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Popular Name: 2-[(3-cyanophenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(3-cyanophenyl)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)	2.25	3.08	-18.52	2	6	0	99	321.402	5	↓ MOL2 SDF SMILES Flexibase

41778281

Analogs

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Popular Name: N-cyclohexyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide N-cyclohexyl-2-[[4-(trifluoromet…

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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)	3.49	2.48	-13.02	2	6	0	85	380.388	7	↓ MOL2 SDF SMILES Flexibase

41778283

Analogs

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Popular Name: 2-[(3-acetylphenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(3-acetylphenyl)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)	2.39	3.17	-18.1	2	6	0	92	338.429	6	↓ MOL2 SDF SMILES Flexibase

41778287

Analogs

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Popular Name: 2-[(3-bromophenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(3-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)	3.30	3.31	-12.87	2	5	0	75	375.288	5	↓ MOL2 SDF SMILES Flexibase

41778289

Analogs

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Popular Name: N-cyclohexyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]acetamide N-cyclohexyl-2-[(2,3,4-trifluoro…

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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)	2.87	2.57	-11.99	2	5	0	75	350.362	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.87	2.5	-45.52	1	5	-1	77	349.354	5	↓ MOL2 SDF SMILES Flexibase

41778293

Analogs

8133548

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Popular Name: 2-[(4-acetylphenyl)sulfonylamino]-N-cyclohexyl-acetamide 2-[(4-acetylphenyl)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)	2.42	3.18	-16.7	2	6	0	92	338.429	6	↓ MOL2 SDF SMILES Flexibase

41781211

Analogs

41781212
41781213
41781214

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Popular Name: (2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]propanamide (2R)-2-[(4-acetamidophenyl)sulfo…

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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	3.11	-17.48	3	7	0	104	395.525	6	↓ MOL2 SDF SMILES Flexibase

41781212

Analogs

41781213
41781214
41781211

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide (2R)-2-[(4-acetamidophenyl)sulfo…

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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	3.92	-16.94	3	7	0	104	395.525	6	↓ MOL2 SDF SMILES Flexibase

41781213

Analogs

41781214
41781211
41781212

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (2R)-2-[(4-acetamidophenyl)sulfo…

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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	3.27	-17.64	3	7	0	104	395.525	6	↓ MOL2 SDF SMILES Flexibase

41781214

Analogs

41781211
41781212
41781213

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide (2R)-2-[(4-acetamidophenyl)sulfo…

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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	3.52	-17.64	3	7	0	104	395.525	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 50114
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 = 50114 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=50114&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": "50114"        

    });
</script>

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