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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

10507296

Analogs

10507303
23216521
23216526

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dioxothiolan-3-yl)-3,5-difluoro-N-isobutyl-benzenesulfonamide N-(1,1-dioxothiolan-3-yl)-3,5-di…

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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	-4.89	-17.26	0	5	0	71	367.439	5	↓ MOL2 SDF SMILES Flexibase

10507303

Analogs

23216521
23216526
10507296

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dioxothiolan-3-yl)-3,5-difluoro-N-isobutyl-benzenesulfonamide N-(1,1-dioxothiolan-3-yl)-3,5-di…

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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	-5.13	-16.65	0	5	0	71	367.439	5	↓ MOL2 SDF SMILES Flexibase

10513272

Analogs

10513276
49357359
49357363

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dioxothiolan-3-yl)-3,5-difluoro-N-methyl-benzenesulfonamide N-(1,1-dioxothiolan-3-yl)-3,5-di…

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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)	1.03	-6.01	-17.35	0	5	0	71	325.358	3	↓ MOL2 SDF SMILES Flexibase

10513276

Analogs

49357359
49357363
10513272

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dioxothiolan-3-yl)-3,5-difluoro-N-methyl-benzenesulfonamide N-(1,1-dioxothiolan-3-yl)-3,5-di…

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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)	1.03	-5.93	-17.57	0	5	0	71	325.358	3	↓ MOL2 SDF SMILES Flexibase

50659657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-4-(ethylamino)-N-methyl-benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	1.00	0.69	-17.4	1	6	0	84	332.447	5	↓ MOL2 SDF SMILES Flexibase

50659659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-(ethylamino)-N-methyl-benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	1.00	0.71	-18.26	1	6	0	84	332.447	5	↓ MOL2 SDF SMILES Flexibase

50659671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(methylamino)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)	0.58	0.66	-16.96	1	6	0	84	318.42	4	↓ MOL2 SDF SMILES Flexibase

50659674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(methylamino)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)	0.58	0.69	-19.06	1	6	0	84	318.42	4	↓ MOL2 SDF SMILES Flexibase

50659676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(ethylamino)-N-methyl-benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.96	1.28	-19.59	1	6	0	84	332.447	5	↓ MOL2 SDF SMILES Flexibase

50659679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(ethylamino)-N-methyl-benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.96	1.23	-20.53	1	6	0	84	332.447	5	↓ MOL2 SDF SMILES Flexibase

40336416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-benzenesulfonamide 3-amino-N-[(3R)-1,1-dioxothiolan…

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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)	-0.02	0.24	-17.99	2	6	0	98	328.415	4	↓ MOL2 SDF SMILES Flexibase

40336418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-benzenesulfonamide 3-amino-N-[(3S)-1,1-dioxothiolan…

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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)	-0.02	0.24	-17.88	2	6	0	98	328.415	4	↓ MOL2 SDF SMILES Flexibase

40336422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-benzenesulfonamide 4-amino-N-[(3R)-1,1-dioxothiolan…

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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)	0.01	0.24	-18.23	2	6	0	98	328.415	4	↓ MOL2 SDF SMILES Flexibase

40336424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-benzenesulfonamide 4-amino-N-[(3S)-1,1-dioxothiolan…

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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)	0.01	0.24	-18.19	2	6	0	98	328.415	4	↓ MOL2 SDF SMILES Flexibase

40336426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-benzenesulfonamide 2-amino-N-[(3R)-1,1-dioxothiolan…

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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)	0.37	0.83	-18.43	2	6	0	98	328.415	4	↓ MOL2 SDF SMILES Flexibase

40336428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-benzenesulfonamide 2-amino-N-[(3S)-1,1-dioxothiolan…

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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)	0.37	0.83	-17.77	2	6	0	98	328.415	4	↓ MOL2 SDF SMILES Flexibase

35633253

Analogs

35633255
35633257
35633259

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.62	-0.1	-64.95	3	6	1	97	333.455	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	-1.27	-18.05	2	6	0	92	332.447	5	↓ MOL2 SDF SMILES Flexibase

35633255

Analogs

35633257
35633259
35633253

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-3-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.62	-0.1	-61.64	3	6	1	97	333.455	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	-1.27	-18.77	2	6	0	92	332.447	5	↓ MOL2 SDF SMILES Flexibase

35633257

Analogs

35633259
35633255
35633253

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.62	-0.05	-60.6	3	6	1	97	333.455	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	-1.22	-17.03	2	6	0	92	332.447	5	↓ MOL2 SDF SMILES Flexibase

35633259

Analogs

35633257
35633255
35633253

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.62	-0.05	-59.2	3	6	1	97	333.455	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	-1.22	-17.64	2	6	0	92	332.447	5	↓ MOL2 SDF SMILES Flexibase

35633261

Analogs

35633263
35633265
35633267

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-4-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-4…

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Activity (Go SEA)

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)	0.64	-0.08	-64.08	3	6	1	97	333.455	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.64	-1.25	-18.12	2	6	0	92	332.447	5	↓ MOL2 SDF SMILES Flexibase

35633263

Analogs

35633265
35633267
35633261

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-4-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.64	-0.08	-61.82	3	6	1	97	333.455	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.64	-1.25	-18.66	2	6	0	92	332.447	5	↓ MOL2 SDF SMILES Flexibase

35633265

Analogs

35633267
35633263
35633261

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.64	-0.04	-59.73	3	6	1	97	333.455	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.64	-1.21	-17.35	2	6	0	92	332.447	5	↓ MOL2 SDF SMILES Flexibase

35633267

Analogs

35633265
35633263
35633261

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.64	-0.04	-58.65	3	6	1	97	333.455	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.64	-1.21	-17.74	2	6	0	92	332.447	5	↓ MOL2 SDF SMILES Flexibase

35634394

Analogs

44882935
44882938
44882941
44882944

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-4-[(1S)-1-hydroxyethyl]benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.09	-2.34	-19.5	2	6	0	101	319.404	4	↓ MOL2 SDF SMILES Flexibase

35634395

Analogs

44882935
44882938
44882941
44882944

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-4-[(1R)-1-hydroxyethyl]benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.09	-2.37	-20.23	2	6	0	101	319.404	4	↓ MOL2 SDF SMILES Flexibase

35634396

Analogs

44882935
44882938
44882941
44882944

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(1S)-1-hydroxyethyl]benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.09	-2.29	-18.98	2	6	0	101	319.404	4	↓ MOL2 SDF SMILES Flexibase

35634397

Analogs

44882935
44882938
44882941
44882944

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(1R)-1-hydroxyethyl]benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.09	-2.33	-19.29	2	6	0	101	319.404	4	↓ MOL2 SDF SMILES Flexibase

35634398

Analogs

44882923
44882926
44882929

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-hydroxyethyl]benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.07	-2.35	-19.46	2	6	0	101	319.404	4	↓ MOL2 SDF SMILES Flexibase

35634399

Analogs

44882923
44882926
44882929

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-3-[(1R)-1-hydroxyethyl]benzenesulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-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)	0.07	-2.39	-20.6	2	6	0	101	319.404	4	↓ MOL2 SDF SMILES Flexibase

35634400

Analogs

44882923
44882926
44882929

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-hydroxyethyl]benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.07	-2.3	-18.97	2	6	0	101	319.404	4	↓ MOL2 SDF SMILES Flexibase

35634401

Analogs

44882923
44882926
44882929

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1R)-1-hydroxyethyl]benzenesulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-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)	0.07	-2.34	-19.34	2	6	0	101	319.404	4	↓ MOL2 SDF SMILES Flexibase

11804948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-benzenesulfonamide 4-amino-N-[(3R)-1,1-dioxothiolan…

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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)	-0.15	-9.55	-18.96	2	6	0	98	304.393	3	↓ MOL2 SDF SMILES Flexibase

11804949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-benzenesulfonamide 4-amino-N-[(3S)-1,1-dioxothiolan…

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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)	-0.15	-9.46	-19.2	2	6	0	98	304.393	3	↓ MOL2 SDF SMILES Flexibase

11804953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-benzenesulfonamide 4-amino-N-[(3R)-1,1-dioxothiolan…

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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)	0.22	-9.34	-18.15	2	6	0	98	318.42	4	↓ MOL2 SDF SMILES Flexibase

11804954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-benzenesulfonamide 4-amino-N-[(3S)-1,1-dioxothiolan…

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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)	0.22	-9.32	-18.62	2	6	0	98	318.42	4	↓ MOL2 SDF SMILES Flexibase

11804958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)benzenesulfonamide 4-amino-N-[(3R)-1,1-dioxothiolan…

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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)	-0.17	-9.11	-21.79	2	7	0	107	348.446	6	↓ MOL2 SDF SMILES Flexibase

11804959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)benzenesulfonamide 4-amino-N-[(3S)-1,1-dioxothiolan…

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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)	-0.17	-9.54	-19.46	2	7	0	107	348.446	6	↓ MOL2 SDF SMILES Flexibase

11804961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(2-dimethylaminoethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide 4-amino-N-(2-dimethylaminoethyl)…

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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)	-0.12	-8.85	-56.38	3	7	1	102	362.497	6	↓ MOL2 SDF SMILES Flexibase

11804962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(2-dimethylaminoethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide 4-amino-N-(2-dimethylaminoethyl)…

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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)	-0.12	-8.81	-58.7	3	7	1	102	362.497	6	↓ MOL2 SDF SMILES Flexibase

11804963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methoxypropyl)benzenesulfonamide 4-amino-N-[(3R)-1,1-dioxothiolan…

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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)	0.10	-9.93	-19.83	2	7	0	107	362.473	7	↓ MOL2 SDF SMILES Flexibase

11804964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methoxypropyl)benzenesulfonamide 4-amino-N-[(3S)-1,1-dioxothiolan…

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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)	0.10	-9.41	-21.44	2	7	0	107	362.473	7	↓ MOL2 SDF SMILES Flexibase

19998006

Analogs

44886609
44886612

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methoxy-benzenesulfonamide 2-amino-N-[(3R)-1,1-dioxothiolan…

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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)	-0.01	-2.78	-22.06	3	7	0	116	320.392	4	↓ MOL2 SDF SMILES Flexibase

19998009

Analogs

44886609
44886612

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-benzenesulfonamide 2-amino-N-[(3S)-1,1-dioxothiolan…

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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)	-0.01	-2.8	-21.09	3	7	0	116	320.392	4	↓ MOL2 SDF SMILES Flexibase

19999145

Analogs

44886603
44886606
44886952
44886954

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-benzenesulfonamide 3-amino-N-[(3R)-1,1-dioxothiolan…

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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)	0.10	-2.58	-20.74	3	6	0	106	308.356	3	↓ MOL2 SDF SMILES Flexibase

19999146

Analogs

44886603
44886606
44886952
44886954

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-benzenesulfonamide 3-amino-N-[(3S)-1,1-dioxothiolan…

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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)	0.10	-2.59	-20.02	3	6	0	106	308.356	3	↓ MOL2 SDF SMILES Flexibase

20004680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]benzenecarbothioamide 4-[[(3R)-1,1-dioxothiolan-3-yl]s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.33	-1.31	-33.16	3	6	0	106	334.444	4	↓ MOL2 SDF SMILES Flexibase

20004683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzenecarbothioamide 4-[[(3S)-1,1-dioxothiolan-3-yl]s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.33	-1.32	-30.82	3	6	0	106	334.444	4	↓ MOL2 SDF SMILES Flexibase

22704725

Analogs

12909230
12909234

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide N-(2-diethylaminoethyl)-3-[[(3R)…

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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)	0.48	1.15	-61.72	3	8	1	114	418.561	9	↓ MOL2 SDF SMILES Flexibase

22704729

Analogs

12909230
12909234

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide N-(2-diethylaminoethyl)-3-[[(3S)…

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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)	0.48	1.19	-58.82	3	8	1	114	418.561	9	↓ MOL2 SDF SMILES Flexibase

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