ZINC 12

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ZINC Item

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12004596

Analogs

12004637
12210226

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-benzyl-5-(1,1-dioxothiazinan-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)	2.27	-8.02	-24.82	1	7	0	93	410.517	6	↓ MOL2 SDF SMILES Flexibase

12004599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-(o-tolylmethyl)benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	2.67	-7.68	-24.69	1	7	0	93	424.544	6	↓ MOL2 SDF SMILES Flexibase

12004605

Analogs

12210245

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-methyl-benzenesulfonamide N-benzyl-5-(1,1-dioxothiazinan-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)	2.51	-6	-25.83	0	7	0	84	424.544	6	↓ MOL2 SDF SMILES Flexibase

12004611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-[(2-fluorophenyl)methyl]-2-methoxy-benzenesulfonamide 5-(1,1-dioxothiazinan-2-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)	2.38	-7.32	-25.47	1	7	0	93	428.507	6	↓ MOL2 SDF SMILES Flexibase

12004616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-2-methoxy-benzenesulfonamide 5-(1,1-dioxothiazinan-2-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)	2.43	-7.28	-25.18	1	7	0	93	428.507	6	↓ MOL2 SDF SMILES Flexibase

12004622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-[(2-chlorophenyl)methyl]-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)	2.90	-8.2	-24.72	1	7	0	93	444.962	6	↓ MOL2 SDF SMILES Flexibase

12004631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	2.28	-7.95	-26	1	8	0	102	440.543	7	↓ MOL2 SDF SMILES Flexibase

12004637

Analogs

12210226
12004596

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	2.33	-8	-25.9	1	8	0	102	440.543	7	↓ MOL2 SDF SMILES Flexibase

12004732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-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)	1.92	-7.67	-28.11	1	9	0	111	470.569	8	↓ MOL2 SDF SMILES Flexibase

12016152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1,1-dioxothiazinan-2-yl)-N-isopropyl-2-methoxy-benzenesulfonamide N-benzyl-5-(1,1-dioxothiazinan-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	-5.64	-26.45	0	7	0	84	452.598	7	↓ MOL2 SDF SMILES Flexibase

12208579

Analogs

12208593

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1,1-dioxothiazinan-2-yl)-2-methyl-benzenesulfonamide N-benzyl-5-(1,1-dioxothiazinan-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)	2.66	-7.88	-23.18	1	6	0	84	394.518	5	↓ MOL2 SDF SMILES Flexibase

12208585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methyl-N-(o-tolylmethyl)benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	3.06	-7.53	-23.33	1	6	0	84	408.545	5	↓ MOL2 SDF SMILES Flexibase

12208589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methyl-N-(m-tolylmethyl)benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	3.09	-7.51	-23.28	1	6	0	84	408.545	5	↓ MOL2 SDF SMILES Flexibase

12208593

Analogs

12208579

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methyl-N-(p-tolylmethyl)benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	3.11	-7.51	-23.14	1	6	0	84	408.545	5	↓ MOL2 SDF SMILES Flexibase

12208599

Analogs

12208605

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	3.22	-7.56	-16.12	1	6	0	84	408.545	5	↓ MOL2 SDF SMILES Flexibase

12208605

Analogs

12208599

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	3.22	-7.53	-15.51	1	6	0	84	408.545	5	↓ MOL2 SDF SMILES Flexibase

12208607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1,1-dioxothiazinan-2-yl)-N,2-dimethyl-benzenesulfonamide N-benzyl-5-(1,1-dioxothiazinan-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)	2.91	-6.2	-24.62	0	6	0	75	408.545	5	↓ MOL2 SDF SMILES Flexibase

12208614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-[(2-fluorophenyl)methyl]-2-methyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-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)	2.78	-7.19	-22.23	1	6	0	84	412.508	5	↓ MOL2 SDF SMILES Flexibase

12208621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-2-methyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-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)	2.83	-7.1	-23.51	1	6	0	84	412.508	5	↓ MOL2 SDF SMILES Flexibase

12208624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-5-(1,1-dioxothiazinan-2-yl)-2-methyl-benzenesulfonamide N-[(2-chlorophenyl)methyl]-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)	3.29	-8.06	-21.69	1	6	0	84	428.963	5	↓ MOL2 SDF SMILES Flexibase

12208629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-5-(1,1-dioxothiazinan-2-yl)-2-methyl-benzenesulfonamide N-[(4-chlorophenyl)methyl]-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)	3.34	-7.98	-22.92	1	6	0	84	428.963	5	↓ MOL2 SDF SMILES Flexibase

12208635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-[(2-methoxyphenyl)methyl]-2-methyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-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)	2.67	-7.81	-23.62	1	7	0	93	424.544	6	↓ MOL2 SDF SMILES Flexibase

12208638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-benzenesulfonamide 5-(1,1-dioxothiazinan-2-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)	2.72	-7.82	-24.08	1	7	0	93	424.544	6	↓ MOL2 SDF SMILES Flexibase

12208653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1,1-dioxothiazinan-2-yl)-N-ethyl-2-methyl-benzenesulfonamide N-benzyl-5-(1,1-dioxothiazinan-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	-5.71	-18.71	0	6	0	75	422.572	6	↓ MOL2 SDF SMILES Flexibase

12208801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	1.36	-14.09	-30.36	3	9	0	144	473.598	6	↓ MOL2 SDF SMILES Flexibase

12208809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(1,1-dioxothiazinan-2-yl)-2-methyl-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)	2.31	-7.49	-26.22	1	8	0	102	454.57	7	↓ MOL2 SDF SMILES Flexibase

12209005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1,1-dioxothiazinan-2-yl)-N-isopropyl-2-methyl-benzenesulfonamide N-benzyl-5-(1,1-dioxothiazinan-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	-5.42	-18.99	0	6	0	75	436.599	6	↓ MOL2 SDF SMILES Flexibase

12210221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-(m-tolylmethyl)benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	2.69	-7.69	-24.9	1	7	0	93	424.544	6	↓ MOL2 SDF SMILES Flexibase

12210226

Analogs

12004596
12004637

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-(p-tolylmethyl)benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	2.72	-7.69	-24.85	1	7	0	93	424.544	6	↓ MOL2 SDF SMILES Flexibase

12210231

Analogs

12210234

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	2.83	-7.86	-23.77	1	7	0	93	424.544	6	↓ MOL2 SDF SMILES Flexibase

12210234

Analogs

12210231

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	2.83	-7.63	-24.34	1	7	0	93	424.544	6	↓ MOL2 SDF SMILES Flexibase

12210239

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-5-(1,1-dioxothiazinan-2-yl)-2-methoxy-benzenesulfonamide N-[(4-chlorophenyl)methyl]-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)	2.95	-8.16	-24.68	1	7	0	93	444.962	6	↓ MOL2 SDF SMILES Flexibase

12210245

Analogs

12004605

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1,1-dioxothiazinan-2-yl)-N-ethyl-2-methoxy-benzenesulfonamide N-benzyl-5-(1,1-dioxothiazinan-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)	2.89	-5.83	-25.81	0	7	0	84	438.571	7	↓ MOL2 SDF SMILES Flexibase

12210279

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Popular Name: 5-(1,1-dioxothiazinan-2-yl)-2-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide 5-(1,1-dioxothiazinan-2-yl)-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)	0.96	-14.27	-32.73	3	10	0	153	489.597	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 72096
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 = 72096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=72096&filter.purchasability=annotated

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "72096"        

    });
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