ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

11999169

Analogs

11999173
13475572
42197500
42197502
42197504

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(p-tolylsulfonyl)thiolane (3R)-3-(p-tolylsulfonyl)thiolane

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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)	0.78	-6.95	-17.85	0	4	0	68	274.363	2	↓ MOL2 SDF SMILES Flexibase

11999173

Analogs

13475572
42197500
42197502
42197504
42197506

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(p-tolylsulfonyl)thiolane (3S)-3-(p-tolylsulfonyl)thiolane

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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)	0.78	-6.95	-19.49	0	4	0	68	274.363	2	↓ MOL2 SDF SMILES Flexibase

11999660

Analogs

11999662

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-methyl-3-nitro-phenyl)sulfonylthiolane (3R)-3-(4-methyl-3-nitro-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)	0.66	-6.55	-22.7	0	7	0	114	319.36	3	↓ MOL2 SDF SMILES Flexibase

11999662

Analogs

11999660

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-methyl-3-nitro-phenyl)sulfonylthiolane (3S)-3-(4-methyl-3-nitro-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)	0.66	-6.58	-22.62	0	7	0	114	319.36	3	↓ MOL2 SDF SMILES Flexibase

12029224

Analogs

12029227
12029614
12029617

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-isopropyl-benzamide 4-[(3R)-1,1-dioxothiolan-3-yl]su…

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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)	0.19	-8.48	-23.49	1	6	0	97	345.442	4	↓ MOL2 SDF SMILES Flexibase

12029227

Analogs

12029614
12029617
12029224

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-isopropyl-benzamide 4-[(3S)-1,1-dioxothiolan-3-yl]su…

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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)	0.19	-8.47	-24.91	1	6	0	97	345.442	4	↓ MOL2 SDF SMILES Flexibase

12029234

Analogs

12029238

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-allyl-4-[(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)	0.16	-8.54	-23.58	1	6	0	97	343.426	5	↓ MOL2 SDF SMILES Flexibase

12029238

Analogs

12029234

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-allyl-4-[(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)	0.16	-8.54	-24.57	1	6	0	97	343.426	5	↓ MOL2 SDF SMILES Flexibase

12029240

Analogs

12029244

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-isobutyl-benzamide 4-[(3R)-1,1-dioxothiolan-3-yl]su…

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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	-8.41	-23.08	1	6	0	97	359.469	5	↓ MOL2 SDF SMILES Flexibase

12029244

Analogs

12029240

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-isobutyl-benzamide 4-[(3S)-1,1-dioxothiolan-3-yl]su…

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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	-8.4	-24.61	1	6	0	97	359.469	5	↓ MOL2 SDF SMILES Flexibase

12029266

Analogs

12029269

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-methoxyethyl)benzamide 4-[(3R)-1,1-dioxothiolan-3-yl]su…

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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)	-0.50	-9.64	-24.16	1	7	0	107	361.441	6	↓ MOL2 SDF SMILES Flexibase

12029269

Analogs

12029266

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-methoxyethyl)benzamide 4-[(3S)-1,1-dioxothiolan-3-yl]su…

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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)	-0.50	-9.64	-25.33	1	7	0	107	361.441	6	↓ MOL2 SDF SMILES Flexibase

12029271

Analogs

12029274

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(3-methoxypropyl)benzamide 4-[(3R)-1,1-dioxothiolan-3-yl]su…

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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	-9.58	-24.51	1	7	0	107	375.468	7	↓ MOL2 SDF SMILES Flexibase

12029274

Analogs

12029271

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(3-methoxypropyl)benzamide 4-[(3S)-1,1-dioxothiolan-3-yl]su…

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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	-9.58	-25.41	1	7	0	107	375.468	7	↓ MOL2 SDF SMILES Flexibase

12029294

Analogs

12029300

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2-dimethylaminoethyl)-4-[(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)	-0.45	-8.46	-60.66	2	7	1	102	375.492	6	↓ MOL2 SDF SMILES Flexibase

12029300

Analogs

12029294

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2-dimethylaminoethyl)-4-[(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)	-0.45	-8.46	-63.57	2	7	1	102	375.492	6	↓ MOL2 SDF SMILES Flexibase

12029309

Analogs

12029312

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(3-dimethylaminopropyl)-4-[(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)	-0.18	-8.33	-60.7	2	7	1	102	389.519	7	↓ MOL2 SDF SMILES Flexibase

12029312

Analogs

12029309

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(3-dimethylaminopropyl)-4-[(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)	-0.18	-8.33	-63.53	2	7	1	102	389.519	7	↓ MOL2 SDF SMILES Flexibase

12029591

Analogs

12029593

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N,N-diethyl-benzamide 4-[(3R)-1,1-dioxothiolan-3-yl]su…

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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)	0.05	-6.89	-23.37	0	6	0	89	359.469	5	↓ MOL2 SDF SMILES Flexibase

12029593

Analogs

12029591

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N,N-diethyl-benzamide 4-[(3S)-1,1-dioxothiolan-3-yl]su…

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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)	0.05	-6.91	-24.23	0	6	0	89	359.469	5	↓ MOL2 SDF SMILES Flexibase

12029604

Analogs

12029606

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2,2-dimethoxyethyl)-4-[(3R)-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)	-0.54	-9.76	-23.92	1	8	0	116	391.467	7	↓ MOL2 SDF SMILES Flexibase

12029606

Analogs

12029604

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2,2-dimethoxyethyl)-4-[(3S)-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)	-0.54	-9.76	-24.54	1	8	0	116	391.467	7	↓ MOL2 SDF SMILES Flexibase

12029608

Analogs

12029610

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetamidoethyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2-acetamidoethyl)-4-[(3R)-1,1…

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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)	-1.33	-11.28	-28.29	2	8	0	126	388.467	6	↓ MOL2 SDF SMILES Flexibase

12029610

Analogs

12029608

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetamidoethyl)-4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2-acetamidoethyl)-4-[(3S)-1,1…

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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)	-1.33	-11.27	-29.89	2	8	0	126	388.467	6	↓ MOL2 SDF SMILES Flexibase

12029614

Analogs

12029617
12029224
12029227

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-tert-butyl-4-[(3R)-1,1-dioxoth…

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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)	0.71	-8.12	-22.76	1	6	0	97	359.469	4	↓ MOL2 SDF SMILES Flexibase

12029617

Analogs

12029224
12029227
12029614

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-tert-butyl-4-[(3S)-1,1-dioxoth…

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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)	0.71	-8.11	-24.14	1	6	0	97	359.469	4	↓ MOL2 SDF SMILES Flexibase

12029633

Analogs

12029635

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-isopentyl-benzamide 4-[(3R)-1,1-dioxothiolan-3-yl]su…

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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)	1.17	-8.48	-23.23	1	6	0	97	373.496	6	↓ MOL2 SDF SMILES Flexibase

12029635

Analogs

12029633

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-isopentyl-benzamide 4-[(3S)-1,1-dioxothiolan-3-yl]su…

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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)	1.17	-8.47	-24.66	1	6	0	97	373.496	6	↓ MOL2 SDF SMILES Flexibase

12029637

Analogs

12029641

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-pentyl-benzamide 4-[(3R)-1,1-dioxothiolan-3-yl]su…

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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)	1.46	-8.67	-23.28	1	6	0	97	373.496	7	↓ MOL2 SDF SMILES Flexibase

12029641

Analogs

12029637

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-pentyl-benzamide 4-[(3S)-1,1-dioxothiolan-3-yl]su…

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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)	1.46	-8.66	-25.28	1	6	0	97	373.496	7	↓ MOL2 SDF SMILES Flexibase

12030031

Analogs

12030034
12030455
12030458

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-isopropyl-benzamide 3-[(3R)-1,1-dioxothiolan-3-yl]su…

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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	-8.47	-27.24	1	6	0	97	345.442	4	↓ MOL2 SDF SMILES Flexibase

12030034

Analogs

12030455
12030458
12030031

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-isopropyl-benzamide 3-[(3S)-1,1-dioxothiolan-3-yl]su…

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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	-8.54	-24.94	1	6	0	97	345.442	4	↓ MOL2 SDF SMILES Flexibase

12030044

Analogs

12030047

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-allyl-3-[(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)	0.14	-8.54	-24.8	1	6	0	97	343.426	5	↓ MOL2 SDF SMILES Flexibase

12030047

Analogs

12030044

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-allyl-3-[(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)	0.14	-8.6	-24.59	1	6	0	97	343.426	5	↓ MOL2 SDF SMILES Flexibase

12030050

Analogs

12030053

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-isobutyl-benzamide 3-[(3R)-1,1-dioxothiolan-3-yl]su…

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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	-8.4	-24.82	1	6	0	97	359.469	5	↓ MOL2 SDF SMILES Flexibase

12030053

Analogs

12030050

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-isobutyl-benzamide 3-[(3S)-1,1-dioxothiolan-3-yl]su…

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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	-8.47	-24.54	1	6	0	97	359.469	5	↓ MOL2 SDF SMILES Flexibase

12030083

Analogs

12030085

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-methoxyethyl)benzamide 3-[(3R)-1,1-dioxothiolan-3-yl]su…

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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)	-0.52	-9.64	-25.22	1	7	0	107	361.441	6	↓ MOL2 SDF SMILES Flexibase

12030085

Analogs

12030083

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-methoxyethyl)benzamide 3-[(3S)-1,1-dioxothiolan-3-yl]su…

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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)	-0.52	-9.71	-25.25	1	7	0	107	361.441	6	↓ MOL2 SDF SMILES Flexibase

12030088

Analogs

12030092

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(3-methoxypropyl)benzamide 3-[(3R)-1,1-dioxothiolan-3-yl]su…

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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)	-0.25	-9.58	-25.6	1	7	0	107	375.468	7	↓ MOL2 SDF SMILES Flexibase

12030092

Analogs

12030088

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(3-methoxypropyl)benzamide 3-[(3S)-1,1-dioxothiolan-3-yl]su…

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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)	-0.25	-9.65	-25.31	1	7	0	107	375.468	7	↓ MOL2 SDF SMILES Flexibase

12030114

Analogs

12030117

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2-dimethylaminoethyl)-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)	-0.47	-8.45	-62.26	2	7	1	102	375.492	6	↓ MOL2 SDF SMILES Flexibase

12030117

Analogs

12030114

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2-dimethylaminoethyl)-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)	-0.47	-8.53	-61.31	2	7	1	102	375.492	6	↓ MOL2 SDF SMILES Flexibase

12030130

Analogs

12030135

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(3-dimethylaminopropyl)-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)	-0.20	-8.33	-62.57	2	7	1	102	389.519	7	↓ MOL2 SDF SMILES Flexibase

12030135

Analogs

12030130

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(3-dimethylaminopropyl)-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)	-0.20	-8.4	-61.74	2	7	1	102	389.519	7	↓ MOL2 SDF SMILES Flexibase

12030436

Analogs

12030437

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N,N-diethyl-benzamide 3-[(3R)-1,1-dioxothiolan-3-yl]su…

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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	-6.89	-27.21	0	6	0	89	359.469	5	↓ MOL2 SDF SMILES Flexibase

12030437

Analogs

12030436

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N,N-diethyl-benzamide 3-[(3S)-1,1-dioxothiolan-3-yl]su…

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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	-6.98	-24.8	0	6	0	89	359.469	5	↓ MOL2 SDF SMILES Flexibase

12030447

Analogs

12030450

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2,2-dimethoxyethyl)-3-[(3R)-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)	-0.56	-9.75	-24.8	1	8	0	116	391.467	7	↓ MOL2 SDF SMILES Flexibase

12030450

Analogs

12030447

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-dimethoxyethyl)-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-benzamide N-(2,2-dimethoxyethyl)-3-[(3S)-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)	-0.56	-9.83	-24.5	1	8	0	116	391.467	7	↓ MOL2 SDF SMILES Flexibase

12030452

Analogs

12030453

Draw Identity 99% 90% 80% 70%

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

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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)	-1.36	-11.27	-29.8	2	8	0	126	388.467	6	↓ MOL2 SDF SMILES Flexibase

12030453

Analogs

12030452

Draw Identity 99% 90% 80% 70%

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

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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)	-1.36	-11.34	-29.41	2	8	0	126	388.467	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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