ZINC 12

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ZINC Item

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50658500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-nitro-aniline 4-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.03	-25.84	2	9	0	143	335.363	3	↓ MOL2 SDF SMILES Flexibase

50658503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-nitro-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.24	-22.05	2	9	0	143	335.363	3	↓ MOL2 SDF SMILES Flexibase

50658505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-5-nitro-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.25	-18.96	2	9	0	143	335.363	3	↓ MOL2 SDF SMILES Flexibase

50658508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-nitro-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.03	-26.48	2	9	0	143	335.363	3	↓ MOL2 SDF SMILES Flexibase

50658510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-aniline 4-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.75	0.22	-16.2	1	6	0	84	318.42	4	↓ MOL2 SDF SMILES Flexibase

50658513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-propyl-aniline 4-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	1.25	0.97	-16	1	6	0	84	332.447	5	↓ MOL2 SDF SMILES Flexibase

50658522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	0.33	-16.04	1	6	0	84	304.393	3	↓ MOL2 SDF SMILES Flexibase

50658525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.70	1.05	-15.67	1	6	0	84	318.42	4	↓ MOL2 SDF SMILES Flexibase

50658528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-propyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	1.20	1.81	-15.37	1	6	0	84	332.447	5	↓ MOL2 SDF SMILES Flexibase

36160046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	-0.43	-1.53	-16.57	2	6	0	98	290.366	2	↓ MOL2 SDF SMILES Flexibase

36160193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-methyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.35	-0.33	-15.5	2	6	0	98	304.393	2	↓ MOL2 SDF SMILES Flexibase

36160197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 3-chloro-4-[(1,1-dioxo-1,4-thiaz…

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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	-1.46	-15.99	2	6	0	98	324.811	2	↓ MOL2 SDF SMILES Flexibase

36160200

Analogs

36163263

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenol 2-amino-4-[(1,1-dioxo-1,4-thiazi…

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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)	-0.29	-4.25	-17.49	3	7	0	118	306.365	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.29	-3.49	-48.13	2	7	-1	121	305.357	2	↓ MOL2 SDF SMILES Flexibase

36160205

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-fluoro-aniline 5-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-1.42	-16.74	2	6	0	98	308.356	2	↓ MOL2 SDF SMILES Flexibase

36160209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-5-methoxy-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-1.66	-16.97	2	7	0	107	320.392	3	↓ MOL2 SDF SMILES Flexibase

36160220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4,5-dimethyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.75	0.25	-16.26	2	6	0	98	318.42	2	↓ MOL2 SDF SMILES Flexibase

36160229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 5-chloro-2-[(1,1-dioxo-1,4-thiaz…

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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)	0.60	-0.43	-15.82	2	6	0	98	324.811	2	↓ MOL2 SDF SMILES Flexibase

36160233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-methyl-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	-0.04	-1.1	-16.26	2	6	0	98	304.393	2	↓ MOL2 SDF SMILES Flexibase

36160237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 4-chloro-3-[(1,1-dioxo-1,4-thiaz…

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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	-1.46	-15.71	2	6	0	98	324.811	2	↓ MOL2 SDF SMILES Flexibase

36160241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-methoxy-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	-0.43	-1.64	-17.35	2	7	0	107	320.392	3	↓ MOL2 SDF SMILES Flexibase

36160245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2,4-difluoro-aniline 5-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-1.61	-15.57	2	6	0	98	326.346	2	↓ MOL2 SDF SMILES Flexibase

36160249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2,3-dimethyl-aniline 5-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.75	-0.19	-16.56	2	6	0	98	318.42	2	↓ MOL2 SDF SMILES Flexibase

36160252

Analogs

36162524

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 2-chloro-5-[(1,1-dioxo-1,4-thiaz…

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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)	0.60	-0.94	-16.25	2	6	0	98	324.811	2	↓ MOL2 SDF SMILES Flexibase

36160256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-methyl-aniline 5-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.75	-16.49	2	6	0	98	304.393	2	↓ MOL2 SDF SMILES Flexibase

36160261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4,5-dimethyl-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.63	-16.26	2	6	0	98	318.42	2	↓ MOL2 SDF SMILES Flexibase

36160265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-methyl-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.35	-1	-16.33	2	6	0	98	304.393	2	↓ MOL2 SDF SMILES Flexibase

36160269

Analogs

36163263

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-methoxy-aniline 5-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-2.1	-17.12	2	7	0	107	320.392	3	↓ MOL2 SDF SMILES Flexibase

36160272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-methyl-aniline 3-chloro-5-[(1,1-dioxo-1,4-thiaz…

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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	-0.31	-16.55	2	6	0	98	338.838	2	↓ MOL2 SDF SMILES Flexibase

36160275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-5-fluoro-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.89	-16.18	2	6	0	98	308.356	2	↓ MOL2 SDF SMILES Flexibase

36160278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.95	-16.29	2	6	0	98	290.366	2	↓ MOL2 SDF SMILES Flexibase

36160281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-ethyl-aniline 5-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.84	0.01	-16.16	2	6	0	98	318.42	3	↓ MOL2 SDF SMILES Flexibase

36160285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzonitrile 5-amino-2-[(1,1-dioxo-1,4-thiazi…

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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)	-0.73	-1.74	-18.41	2	7	0	121	315.376	2	↓ MOL2 SDF SMILES Flexibase

36160288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3,4-dimethyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.75	0.22	-15.42	2	6	0	98	318.42	2	↓ MOL2 SDF SMILES Flexibase

36160292

Analogs

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Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-methoxy-aniline 4-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	-0.43	-1.64	-17.66	2	7	0	107	320.392	3	↓ MOL2 SDF SMILES Flexibase

36160296

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-ethyl-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.43	-0.39	-16.09	2	6	0	98	318.42	3	↓ MOL2 SDF SMILES Flexibase

36160300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 3,5-dichloro-2-[(1,1-dioxo-1,4-t…

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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)	1.21	0.16	-14.97	2	6	0	98	359.256	2	↓ MOL2 SDF SMILES Flexibase

36160304

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-5-methyl-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	-0.04	-0.87	-16.38	2	6	0	98	304.393	2	↓ MOL2 SDF SMILES Flexibase

36160309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-fluoro-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-1.7	-16.47	2	6	0	98	308.356	2	↓ MOL2 SDF SMILES Flexibase

36160313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 3-bromo-4-[(1,1-dioxo-1,4-thiazi…

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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	-1.19	-15.8	2	6	0	98	369.262	2	↓ MOL2 SDF SMILES Flexibase

36160317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-5-methyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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	-0.29	-16.16	2	6	0	98	304.393	2	↓ MOL2 SDF SMILES Flexibase

36160320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-methyl-aniline 4-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	-0.04	-1.11	-16.44	2	6	0	98	304.393	2	↓ MOL2 SDF SMILES Flexibase

36160324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 3,5-dichloro-4-[(1,1-dioxo-1,4-t…

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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)	0.80	-0.33	-15.83	2	6	0	98	359.256	2	↓ MOL2 SDF SMILES Flexibase

36160328

Analogs

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Popular Name: 3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-fluoro-aniline 3-chloro-5-[(1,1-dioxo-1,4-thiaz…

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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)	0.29	-1.2	-16.51	2	6	0	98	342.801	2	↓ MOL2 SDF SMILES Flexibase

36160333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 5-bromo-2-[(1,1-dioxo-1,4-thiazi…

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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)	0.73	-0.33	-15.86	2	6	0	98	369.262	2	↓ MOL2 SDF SMILES Flexibase

36160337

Analogs

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Popular Name: 3,5-dibromo-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 3,5-dibromo-4-[(1,1-dioxo-1,4-th…

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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)	1.06	-0.12	-15.37	2	6	0	98	448.158	2	↓ MOL2 SDF SMILES Flexibase

36160340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline 3,5-dibromo-2-[(1,1-dioxo-1,4-th…

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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)	1.47	0.35	-14.54	2	6	0	98	448.158	2	↓ MOL2 SDF SMILES Flexibase

36160342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2,4-dimethyl-aniline 3-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.75	-0.13	-15.78	2	6	0	98	318.42	2	↓ MOL2 SDF SMILES Flexibase

36161792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzoic 4-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.42	1.17	-56.1	0	7	-1	112	318.352	3	↓ MOL2 SDF SMILES Flexibase

36161794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzoic 2-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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)	0.04	1.98	-66.65	0	7	-1	112	318.352	3	↓ MOL2 SDF SMILES Flexibase

36161797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzoic 2-bromo-5-[(1,1-dioxo-1,4-thiazi…

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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)	0.82	1.66	-56.13	0	7	-1	112	397.248	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 13763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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', {
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