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ZINC Item

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10508787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-N-(2-phenoxyethyl)benzenesulfonamide 3,5-difluoro-N-(2-phenoxyethyl)b…

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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	-2.97	-9.44	1	4	0	55	313.325	6	↓ MOL2 SDF SMILES Flexibase

10513019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-benzenesulfonamide 3,5-difluoro-N-[2-(4-methoxyphen…

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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)	3.24	-1.18	-9.52	0	5	0	55	357.378	7	↓ MOL2 SDF SMILES Flexibase

12855426

Analogs

42894924

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide 2-bromo-N-[2-(4-methoxyphenoxy)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	4.19	-11.99	1	5	0	65	386.267	7	↓ MOL2 SDF SMILES Flexibase

13009457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-acetylphenoxy)ethyl]-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide N-[2-(2-acetylphenoxy)ethyl]-4-c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	8.9	-13.58	0	5	0	64	435.851	8	↓ MOL2 SDF SMILES Flexibase

53671108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-N-[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 3-cyano-N-[(1R)-1-methyl-2-(3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	5.86	-13.8	1	5	0	79	330.409	6	↓ MOL2 SDF SMILES Flexibase

53671109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-N-[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 3-cyano-N-[(1S)-1-methyl-2-(3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	5.93	-14.47	1	5	0	79	330.409	6	↓ MOL2 SDF SMILES Flexibase

53671110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 4-cyano-N-[(1R)-1-methyl-2-(3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	5.86	-12.05	1	5	0	79	330.409	6	↓ MOL2 SDF SMILES Flexibase

53671111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 4-cyano-N-[(1S)-1-methyl-2-(3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	5.93	-12.72	1	5	0	79	330.409	6	↓ MOL2 SDF SMILES Flexibase

53671120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 2-methoxy-N-[(1R)-1-methyl-2-(3-…

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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	5.32	-12.11	1	5	0	65	335.425	7	↓ MOL2 SDF SMILES Flexibase

53671121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 2-methoxy-N-[(1S)-1-methyl-2-(3-…

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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	5.26	-11.94	1	5	0	65	335.425	7	↓ MOL2 SDF SMILES Flexibase

53671122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]-2-nitro-benzenesulfonamide N-[(1R)-1-methyl-2-(3-methylphen…

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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)	3.35	6.95	-16.17	1	7	0	101	350.396	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.35	6.98	-53.02	0	7	-1	103	349.388	7	↓ MOL2 SDF SMILES Flexibase

53671123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]-2-nitro-benzenesulfonamide N-[(1S)-1-methyl-2-(3-methylphen…

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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)	3.35	7.09	-16.53	1	7	0	101	350.396	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.35	6.95	-52.89	0	7	-1	103	349.388	7	↓ MOL2 SDF SMILES Flexibase

53671126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide N-[(1R)-1-methyl-2-(3-methylphen…

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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	5.46	-10.23	1	4	0	55	305.399	6	↓ MOL2 SDF SMILES Flexibase

53671127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide N-[(1S)-1-methyl-2-(3-methylphen…

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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	5.53	-10.81	1	4	0	55	305.399	6	↓ MOL2 SDF SMILES Flexibase

53671128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]sulfamoyl]phenyl]acetamide N-[4-[[(1R)-1-methyl-2-(3-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)	2.66	4.34	-14.87	2	6	0	85	362.451	7	↓ MOL2 SDF SMILES Flexibase

53671129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]sulfamoyl]phenyl]acetamide N-[4-[[(1S)-1-methyl-2-(3-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)	2.66	4.42	-15.18	2	6	0	85	362.451	7	↓ MOL2 SDF SMILES Flexibase

53671130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 4-methoxy-N-[(1R)-1-methyl-2-(3-…

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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)	3.50	4.76	-10.55	1	5	0	65	335.425	7	↓ MOL2 SDF SMILES Flexibase

53671131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 4-methoxy-N-[(1S)-1-methyl-2-(3-…

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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)	3.50	4.84	-11.11	1	5	0	65	335.425	7	↓ MOL2 SDF SMILES Flexibase

53671140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 4-acetyl-N-[(1R)-1-methyl-2-(3-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)	3.34	5.86	-12.99	1	5	0	72	347.436	7	↓ MOL2 SDF SMILES Flexibase

53671141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-acetyl-N-[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 4-acetyl-N-[(1S)-1-methyl-2-(3-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)	3.34	5.93	-13.58	1	5	0	72	347.436	7	↓ MOL2 SDF SMILES Flexibase

53671142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[(1R)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 3-acetyl-N-[(1R)-1-methyl-2-(3-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)	3.32	5.87	-17.29	1	5	0	72	347.436	7	↓ MOL2 SDF SMILES Flexibase

53671143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetyl-N-[(1S)-1-methyl-2-(3-methylphenoxy)ethyl]benzenesulfonamide 3-acetyl-N-[(1S)-1-methyl-2-(3-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)	3.32	5.94	-18.01	1	5	0	72	347.436	7	↓ MOL2 SDF SMILES Flexibase

13014240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[allyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]phenyl]acetamide N-[4-[allyl-[2-(2-methylphenoxy)…

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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)	3.20	7.09	-15.95	1	6	0	76	388.489	9	↓ MOL2 SDF SMILES Flexibase

36874953

Analogs

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Popular Name: 2-fluoro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide 2-fluoro-N-methyl-N-[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)	3.50	6.66	-11.36	0	4	0	47	323.389	6	↓ MOL2 SDF SMILES Flexibase

37084821

Analogs

25376998

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N,N-dimethyl-5-(2-phenoxyethylsulfamoyl)benzamide 2-chloro-N,N-dimethyl-5-(2-pheno…

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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)	2.26	4.54	-16.15	1	6	0	76	382.869	7	↓ MOL2 SDF SMILES Flexibase

13671479

Analogs

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Popular Name: 4-methoxy-3-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide 4-methoxy-3-methyl-N-[2-(4-methy…

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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)	3.57	4.87	-11.37	1	5	0	65	335.425	7	↓ MOL2 SDF SMILES Flexibase

13671826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-(4-methoxyphenoxy)-1-methyl-ethyl]benzenesulfonamide 4-bromo-N-[(1R)-2-(4-methoxyphen…

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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)	3.88	4.7	-10.44	1	5	0	65	400.294	7	↓ MOL2 SDF SMILES Flexibase

13671827

Analogs

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Popular Name: 4-bromo-N-[(1S)-2-(4-methoxyphenoxy)-1-methyl-ethyl]benzenesulfonamide 4-bromo-N-[(1S)-2-(4-methoxyphen…

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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)	3.88	4.77	-10.98	1	5	0	65	400.294	7	↓ MOL2 SDF SMILES Flexibase

13672112

Analogs

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Popular Name: N-[(1R)-2-(4-methoxyphenoxy)-1-methyl-ethyl]-4-methylsulfanyl-benzenesulfonamide N-[(1R)-2-(4-methoxyphenoxy)-1-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)	3.51	5.1	-11.68	1	5	0	65	367.492	8	↓ MOL2 SDF SMILES Flexibase

13672114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(4-methoxyphenoxy)-1-methyl-ethyl]-4-methylsulfanyl-benzenesulfonamide N-[(1S)-2-(4-methoxyphenoxy)-1-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)	3.51	5.16	-12.17	1	5	0	65	367.492	8	↓ MOL2 SDF SMILES Flexibase

13672305

Analogs

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Popular Name: 3-bromo-4-methoxy-N-[(1R)-2-(4-methoxyphenoxy)-1-methyl-ethyl]benzenesulfonamide 3-bromo-4-methoxy-N-[(1R)-2-(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)	3.87	4.05	-11.82	1	6	0	74	430.32	8	↓ MOL2 SDF SMILES Flexibase

13672307

Analogs

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Popular Name: 3-bromo-4-methoxy-N-[(1S)-2-(4-methoxyphenoxy)-1-methyl-ethyl]benzenesulfonamide 3-bromo-4-methoxy-N-[(1S)-2-(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)	3.87	4.12	-13.6	1	6	0	74	430.32	8	↓ MOL2 SDF SMILES Flexibase

58310792

Analogs

42894941

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Popular Name: 4-bromo-N-methyl-2-nitro-N-(2-phenoxyethyl)benzenesulfonamide 4-bromo-N-methyl-2-nitro-N-(2-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)	3.63	9.18	-24.3	0	7	0	92	415.265	7	↓ MOL2 SDF SMILES Flexibase

58316790

Analogs

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Popular Name: N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxy-N-methyl-benzenesulfonamide N-[2-(2-fluorophenoxy)ethyl]-2,5…

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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)	3.09	6.08	-21.94	0	6	0	65	369.414	8	↓ MOL2 SDF SMILES Flexibase

58320625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide 2,4-difluoro-N-methyl-N-[2-(2-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	6.76	-9.34	0	4	0	47	341.379	6	↓ MOL2 SDF SMILES Flexibase

58320631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide 2,5-dimethoxy-N-methyl-N-[2-(2-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)	3.37	5.91	-14.19	0	6	0	65	365.451	8	↓ MOL2 SDF SMILES Flexibase

58320633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide 2,5-difluoro-N-methyl-N-[2-(2-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	6.76	-10.62	0	4	0	47	341.379	6	↓ MOL2 SDF SMILES Flexibase

58320687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-benzenesulfonamide 2,4-difluoro-N-[2-(4-fluoropheno…

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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)	3.35	6.97	-12.38	0	4	0	47	345.342	6	↓ MOL2 SDF SMILES Flexibase

58320689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-benzenesulfonamide 3-chloro-4-fluoro-N-[2-(4-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)	3.87	7.54	-12.54	0	4	0	47	361.797	6	↓ MOL2 SDF SMILES Flexibase

58320692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-difluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-benzenesulfonamide 2,5-difluoro-N-[2-(4-fluoropheno…

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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)	3.35	6.97	-13.48	0	4	0	47	345.342	6	↓ MOL2 SDF SMILES Flexibase

58320711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-difluoro-N-methyl-benzenesulfonamide N-[2-(3,5-dimethylphenoxy)ethyl]…

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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)	4.01	7.38	-10.76	0	4	0	47	355.406	6	↓ MOL2 SDF SMILES Flexibase

13672735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-methoxyphenoxy)-1-methyl-ethyl]-4-methyl-3-nitro-benzenesulfonamide N-[(1R)-2-(4-methoxyphenoxy)-1-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)	3.41	5.27	-16.32	1	8	0	110	380.422	8	↓ MOL2 SDF SMILES Flexibase

13672737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(4-methoxyphenoxy)-1-methyl-ethyl]-4-methyl-3-nitro-benzenesulfonamide N-[(1S)-2-(4-methoxyphenoxy)-1-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)	3.41	5.34	-16.73	1	8	0	110	380.422	8	↓ MOL2 SDF SMILES Flexibase

13674025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-methoxy-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide 3-chloro-4-methoxy-N-[2-(4-methy…

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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)	3.80	4.69	-12.44	1	5	0	65	355.843	7	↓ MOL2 SDF SMILES Flexibase

13674674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-methoxyphenoxy)-1-methyl-ethyl]-4-methyl-benzenesulfonamide N-[(1R)-2-(4-methoxyphenoxy)-1-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)	3.52	4.75	-11.13	1	5	0	65	335.425	7	↓ MOL2 SDF SMILES Flexibase

13674676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(4-methoxyphenoxy)-1-methyl-ethyl]-4-methyl-benzenesulfonamide N-[(1S)-2-(4-methoxyphenoxy)-1-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)	3.52	4.83	-11.83	1	5	0	65	335.425	7	↓ MOL2 SDF SMILES Flexibase

13675009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide N-[2-(4-methylphenoxy)ethyl]benz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	4.83	-10.69	1	4	0	55	291.372	6	↓ MOL2 SDF SMILES Flexibase

13676639

Analogs

10543576

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-[(1S)-2-(4-methoxyphenoxy)-1-methyl-ethyl]benzenesulfonamide 4-ethoxy-N-[(1S)-2-(4-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)	3.51	4.36	-12.34	1	6	0	74	365.451	9	↓ MOL2 SDF SMILES Flexibase

13676641

Analogs

10543576

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxy-N-[(1R)-2-(4-methoxyphenoxy)-1-methyl-ethyl]benzenesulfonamide 4-ethoxy-N-[(1R)-2-(4-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)	3.51	4.3	-11.76	1	6	0	74	365.451	9	↓ MOL2 SDF SMILES Flexibase

14015901

Analogs

16729887
16731693

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(methyl-(2-phenoxyethyl)sulfamoyl)benzamide 4-(methyl-(2-phenoxyethyl)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)	1.75	2.78	-16.57	2	6	0	90	334.397	7	↓ 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 = 9635 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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