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ZINC Item

Suppliers, Protomers, & Similar Substances

35626984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfon 4-(4,4-dimethyl-1,1,3-trioxo-1,2…

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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)	2.52	5.38	-55.27	2	9	1	108	493.631	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.52	3.12	-59.63	0	9	-1	109	491.615	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.52	5.49	-79.45	1	9	0	110	492.623	5	↓ MOL2 SDF SMILES Flexibase

35626986

Analogs

13722917

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenes N-(1,3-benzodioxol-5-ylmethyl)-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)	1.69	1.28	-26.25	1	10	0	128	468.509	6	↓ MOL2 SDF SMILES Flexibase

35626988

Analogs

13722917

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-5-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenes N-(1,3-benzodioxol-5-ylmethyl)-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)	1.69	1.32	-26.42	1	10	0	128	468.509	6	↓ MOL2 SDF SMILES Flexibase

11978051

Analogs

11978058
13732089

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-methoxyphenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide N-[2-(3-methoxyphenyl)ethyl]-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)	2.25	-8.24	-23.29	1	8	0	110	438.527	7	↓ MOL2 SDF SMILES Flexibase

11978058

Analogs

13732089
11978051

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-methoxyphenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide N-[2-(3-methoxyphenyl)ethyl]-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)	2.25	-8.25	-23.03	1	8	0	110	438.527	7	↓ MOL2 SDF SMILES Flexibase

11978232

Analogs

16684298
16695886

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(2-fluorophenyl)-2-methoxy-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)	1.73	-6.82	-25.77	1	8	0	110	414.436	5	↓ MOL2 SDF SMILES Flexibase

11978239

Analogs

16684298
16695886

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(4-fluorophenyl)-2-methoxy-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)	1.78	-6.46	-25.02	1	8	0	110	414.436	5	↓ MOL2 SDF SMILES Flexibase

11978249

Analogs

16677091
16677092
32525022

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(2-chlorophenyl)-2-methoxy-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)	2.25	-7.62	-25.1	1	8	0	110	430.891	5	↓ MOL2 SDF SMILES Flexibase

11978257

Analogs

11997879
11997887
16684283
16684287
16684288

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-chlorophenyl)-2-methoxy-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)	2.27	-7.34	-26.59	1	8	0	110	430.891	5	↓ MOL2 SDF SMILES Flexibase

11978261

Analogs

16684296
16684302

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(4-chlorophenyl)-2-methoxy-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)	2.30	-7.34	-24.56	1	8	0	110	430.891	5	↓ MOL2 SDF SMILES Flexibase

11978267

Analogs

16663197
16663200
16663201
16684283
16684287

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-chloro-2-methyl-phenyl)-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)	2.65	-7.23	-24.38	1	8	0	110	444.918	5	↓ MOL2 SDF SMILES Flexibase

11978276

Analogs

16663197
16663200
16663201
16684283
16684287

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(5-chloro-2-methyl-phenyl)-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)	2.67	-7.21	-26.08	1	8	0	110	444.918	5	↓ MOL2 SDF SMILES Flexibase

11978283

Analogs

16684283
16684302
16684306
16700298
16700301

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methyl-phenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(4-chloro-2-methyl-phenyl)-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)	2.67	-7.2	-24.69	1	8	0	110	444.918	5	↓ MOL2 SDF SMILES Flexibase

11978290

Analogs

16663157
16663160
16663163
16684283
16684287

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-chloro-4-methyl-phenyl)-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)	2.67	-7.03	-24.05	1	8	0	110	444.918	5	↓ MOL2 SDF SMILES Flexibase

11978298

Analogs

16684288

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-chloro-4-fluoro-phenyl)-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)	2.39	-6.61	-23.65	1	8	0	110	448.881	5	↓ MOL2 SDF SMILES Flexibase

11978306

Analogs

16700298
16700301
16700303

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(2-chloro-4,6-dimethyl-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)	3.05	-6.25	-26.87	1	8	0	110	458.945	5	↓ MOL2 SDF SMILES Flexibase

11978311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-chloro-4-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)	2.28	-7.28	-25.26	1	9	0	119	460.917	6	↓ MOL2 SDF SMILES Flexibase

11978314

Analogs

16676556
16677072

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide 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)	2.28	-7.62	-26.74	1	9	0	119	460.917	6	↓ MOL2 SDF SMILES Flexibase

11978505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.40	-6.5	-28.12	1	10	0	136	488.927	7	↓ MOL2 SDF SMILES Flexibase

11978516

Analogs

16676554
16676564
16677067
16677068
16677097

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-fluorophenyl)-2-methoxy-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)	1.76	-6.45	-27.52	1	8	0	110	414.436	5	↓ MOL2 SDF SMILES Flexibase

11978543

Analogs

11978549
16677363
16677367
40165908

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methoxy-3-[(2S)-2-methylindolin-1-yl]sulfonyl-phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-methoxy-3-[(2S)-2-methylind…

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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)	2.19	-6.27	-26.26	0	8	0	101	436.511	4	↓ MOL2 SDF SMILES Flexibase

11978549

Analogs

16677363
16677367
40165908
11978543

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methoxy-3-[(2R)-2-methylindolin-1-yl]sulfonyl-phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-methoxy-3-[(2R)-2-methylind…

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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)	2.19	-6.11	-25.5	0	8	0	101	436.511	4	↓ MOL2 SDF SMILES Flexibase

11978575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-methoxy-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-benzyl-2-methoxy-N-phenyl-5-(1…

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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)	3.26	-5.56	-27.3	0	8	0	101	486.571	7	↓ MOL2 SDF SMILES Flexibase

11978679

Analogs

11978681
16679776
16679830
16679832
16700902

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-methyl-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide N,N-diethyl-2-methyl-4-[(4R)-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)	1.79	-5.78	-21.46	0	7	0	92	374.484	5	↓ MOL2 SDF SMILES Flexibase

11978681

Analogs

16679776
16679830
16679832
16700902
16700904

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-methyl-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide N,N-diethyl-2-methyl-4-[(4S)-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)	1.79	-5.96	-21.58	0	7	0	92	374.484	5	↓ MOL2 SDF SMILES Flexibase

11996582

Analogs

11906157

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-methoxy-N-phenyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-ethyl-2-methoxy-N-phenyl-5-(1,…

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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)	2.24	-5.7	-26.23	0	8	0	101	424.5	6	↓ MOL2 SDF SMILES Flexibase

11996813

Analogs

12020494

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dioxo-2-[4-(piperidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one 1,1-dioxo-2-[4-(piperidine-1-car…

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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)	0.74	-3.95	-20.57	0	6	0	75	322.386	2	↓ MOL2 SDF SMILES Flexibase

11996815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(morpholine-4-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-(morpholine-4-carbonyl)phen…

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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)	-0.32	-5.1	-21.04	0	7	0	84	324.358	2	↓ MOL2 SDF SMILES Flexibase

11996816

Analogs

15842440

Draw Identity 99% 90% 80% 70%

Popular Name: N-(p-tolylmethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(p-tolylmethyl)-4-(1,1,3-triox…

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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)	1.91	-4.35	-20.61	1	6	0	84	358.419	4	↓ MOL2 SDF SMILES Flexibase

11996818

Analogs

15842516
15842604

Draw Identity 99% 90% 80% 70%

Popular Name: N-(p-tolyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(p-tolyl)-4-(1,1,3-trioxo-1,2-…

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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)	2.21	-3.54	-21.9	1	6	0	84	344.392	3	↓ MOL2 SDF SMILES Flexibase

11996819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(4-fluorophenyl)-4-(1,1,3-trio…

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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)	1.92	-3.35	-21.88	1	6	0	84	348.355	3	↓ MOL2 SDF SMILES Flexibase

11996822

Analogs

12025791

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dioxo-2-[3-(pyrrolidine-1-carbonyl)phenyl]-1,2-thiazolidin-3-one 1,1-dioxo-2-[3-(pyrrolidine-1-ca…

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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)	0.21	-4.49	-26.59	0	6	0	75	308.359	2	↓ MOL2 SDF SMILES Flexibase

11996824

Analogs

15858486

Draw Identity 99% 90% 80% 70%

Popular Name: N-(p-tolylmethyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(p-tolylmethyl)-3-(1,1,3-triox…

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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)	1.88	-4.56	-23.9	1	6	0	84	358.419	4	↓ MOL2 SDF SMILES Flexibase

11996826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5-dihydrothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(4,5-dihydrothiazol-2-yl)-3-(1…

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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)	0.34	-7.53	-24.97	1	7	0	96	339.398	3	↓ MOL2 SDF SMILES Flexibase

11996827

Analogs

15858520
15858523

Draw Identity 99% 90% 80% 70%

Popular Name: N-(o-tolyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(o-tolyl)-3-(1,1,3-trioxo-1,2-…

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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)	2.13	-3.54	-25.5	1	6	0	84	344.392	3	↓ MOL2 SDF SMILES Flexibase

11996829

Analogs

11996830
15858517
15858522

Draw Identity 99% 90% 80% 70%

Popular Name: N-(m-tolyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(m-tolyl)-3-(1,1,3-trioxo-1,2-…

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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)	2.16	-3.75	-25.5	1	6	0	84	344.392	3	↓ MOL2 SDF SMILES Flexibase

11996830

Analogs

15858517
15858557
11996829

Draw Identity 99% 90% 80% 70%

Popular Name: N-(p-tolyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(p-tolyl)-3-(1,1,3-trioxo-1,2-…

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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)	2.18	-3.75	-25.69	1	6	0	84	344.392	3	↓ MOL2 SDF SMILES Flexibase

11996832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(4-fluorophenyl)-3-(1,1,3-trio…

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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)	1.90	-3.34	-25.4	1	6	0	84	348.355	3	↓ MOL2 SDF SMILES Flexibase

11997365

Analogs

16701279

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyphenyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-[2-(2-methoxyphenyl)ethyl]-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)	1.75	-8.24	-24.05	1	8	0	110	424.5	7	↓ MOL2 SDF SMILES Flexibase

11997369

Analogs

16701292

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-[(3,4-dimethoxyphenyl)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)	0.98	-8.34	-26.12	1	9	0	119	440.499	7	↓ MOL2 SDF SMILES Flexibase

11997373

Analogs

11997379
11998325
11998327
15885396
16695970

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(2R,6R)-2,6-dimethyl-1-pi…

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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	-6.81	-20.88	0	7	0	92	386.495	3	↓ MOL2 SDF SMILES Flexibase

11997379

Analogs

11998325
11998327
15885396
16695970
16695975

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(2S,6S)-2,6-dimethyl-1-pi…

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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	-7.03	-21.08	0	7	0	92	386.495	3	↓ MOL2 SDF SMILES Flexibase

11997382

Analogs

11998405
11998408
16695978

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3S,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-[[(3S,5R)-3,5-dimethyl-1-pi…

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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)	1.81	-7.37	-21.3	0	7	0	92	386.495	3	↓ MOL2 SDF SMILES Flexibase

11997385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-(1,4-dioxa-8-azaspiro[4.5]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)	0.46	-9.51	-22.76	0	9	0	110	416.477	3	↓ MOL2 SDF SMILES Flexibase

11997388

Analogs

11997391

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.08	-11.61	-30.58	0	9	0	126	436.533	5	↓ MOL2 SDF SMILES Flexibase

11997391

Analogs

11997388

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.08	-11.79	-30.42	0	9	0	126	436.533	5	↓ MOL2 SDF SMILES Flexibase

11997394

Analogs

16679964

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	1.19	-6.64	-25.63	0	9	0	118	430.504	6	↓ MOL2 SDF SMILES Flexibase

11997397

Analogs

11997399
16679955

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	1.19	-6.91	-24.42	0	9	0	118	430.504	6	↓ MOL2 SDF SMILES Flexibase

11997399

Analogs

16679955
11997397

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	1.19	-6.92	-24.1	0	9	0	118	430.504	6	↓ MOL2 SDF SMILES Flexibase

11997401

Analogs

16679975

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	-0.20	-7.71	-24.33	1	9	0	127	362.385	6	↓ MOL2 SDF SMILES Flexibase

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