ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12004450

Analogs

12208096

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2-chlorophenyl)-4-(1,1-dioxot…

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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)	3.97	-6.86	-17.87	1	6	0	84	428.963	4	↓ MOL2 SDF SMILES Flexibase

12209826

Analogs

12209831
12209837
12209842
12209873
12208017

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-phenyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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	4.73	-18.72	1	6	0	84	394.518	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.34	4.81	-50.42	0	6	-1	86	393.51	4	↓ MOL2 SDF SMILES Flexibase

12209827

Analogs

12209855
12209860
12209879
12209913
12207967

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-(o-tolyl)benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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)	3.74	-6.22	-17.29	1	6	0	84	408.545	4	↓ MOL2 SDF SMILES Flexibase

12209831

Analogs

12209837
12209842
12209873
12208017
12208335

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-(m-tolyl)benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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)	3.76	-6.05	-16.68	1	6	0	84	408.545	4	↓ MOL2 SDF SMILES Flexibase

12209837

Analogs

12209842
12209873
12208017
12208335
12209826

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-(p-tolyl)benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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)	3.79	-6.4	-17.82	1	6	0	84	408.545	4	↓ MOL2 SDF SMILES Flexibase

12209842

Analogs

12209873
12207983
12208017
12209826
12209831

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N,2,6-trimethyl-N-phenyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N,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	-5.47	-19.34	0	6	0	75	408.545	4	↓ MOL2 SDF SMILES Flexibase

12209855

Analogs

12209860
12209879
12209913
12207967
12208023

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2,4-dimethylphenyl)-4-(1,1-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)	4.16	-5.89	-17.22	1	6	0	84	422.572	4	↓ MOL2 SDF SMILES Flexibase

12209860

Analogs

12209879
12209913
12208003
12208023
12208062

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2,5-dimethylphenyl)-4-(1,1-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)	4.16	-5.89	-17.17	1	6	0	84	422.572	4	↓ MOL2 SDF SMILES Flexibase

12209866

Analogs

12208009

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3,4-dimethylphenyl)-4-(1,1-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)	4.16	-6.17	-17.46	1	6	0	84	422.572	4	↓ MOL2 SDF SMILES Flexibase

12209873

Analogs

12208017
12209826
12209831
12209837
12209842

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3,5-dimethylphenyl)-4-(1,1-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)	4.16	-6.07	-17.75	1	6	0	84	422.572	4	↓ MOL2 SDF SMILES Flexibase

12209879

Analogs

12209913
12207967
12208023
12208062
12209827

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2,6-dimethylphenyl)-4-(1,1-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)	4.14	-5.53	-16.24	1	6	0	84	422.572	4	↓ MOL2 SDF SMILES Flexibase

12209883

Analogs

12208026

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2,3-dimethylphenyl)-4-(1,1-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)	4.14	-6.16	-17.53	1	6	0	84	422.572	4	↓ MOL2 SDF SMILES Flexibase

12209886

Analogs

12208032

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-ethylphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	4.20	-6.05	-17.11	1	6	0	84	422.572	5	↓ MOL2 SDF SMILES Flexibase

12209892

Analogs

12209910
12209932
12208036

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	4.25	-6.24	-17.61	1	6	0	84	422.572	5	↓ MOL2 SDF SMILES Flexibase

12209896

Analogs

12208041

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-ethyl-2,6-dimethyl-N-phenyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-et…

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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)	3.96	-5.05	-16.43	0	6	0	75	422.572	5	↓ MOL2 SDF SMILES Flexibase

12209901

Analogs

12209918
12208065
12208047

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-ethyl-6-methyl-phenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	4.60	-5.15	-16.01	1	6	0	84	436.599	5	↓ MOL2 SDF SMILES Flexibase

12209905

Analogs

12209926
12208049
12208078

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-isopropylphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	4.33	-5.77	-16.91	1	6	0	84	436.599	5	↓ MOL2 SDF SMILES Flexibase

12209910

Analogs

12209932
12208055
12208082
12209892

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(4-isopropylphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	4.85	-5.92	-16.9	1	6	0	84	436.599	5	↓ MOL2 SDF SMILES Flexibase

12209913

Analogs

12207967
12208023
12208062
12209827
12209855

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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)	4.54	-5.12	-16.36	1	6	0	84	436.599	4	↓ MOL2 SDF SMILES Flexibase

12209918

Analogs

12208065
12209901

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diethylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2,6-diethylphenyl)-4-(1,1-dio…

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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)	5.07	-5.15	-16.84	1	6	0	84	450.626	6	↓ MOL2 SDF SMILES Flexibase

12209923

Analogs

12210162
12208071
12208395

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-isopropyl-6-methyl-phenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	4.73	-4.9	-16.14	1	6	0	84	450.626	5	↓ MOL2 SDF SMILES Flexibase

12209926

Analogs

12208049
12208078
12209905

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-tert-butylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2-tert-butylphenyl)-4-(1,1-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)	5.00	-4.99	-17.02	1	6	0	84	450.626	5	↓ MOL2 SDF SMILES Flexibase

12209932

Analogs

12208055
12208082
12209892
12209910

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(4-tert-butylphenyl)-4-(1,1-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)	5.04	-5.57	-17.44	1	6	0	84	450.626	5	↓ MOL2 SDF SMILES Flexibase

12209936

Analogs

12208088

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-fluorophenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	3.45	-6.01	-18.73	1	6	0	84	412.508	4	↓ MOL2 SDF SMILES Flexibase

12209941

Analogs

12208091

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	3.50	-5.98	-17.99	1	6	0	84	412.508	4	↓ MOL2 SDF SMILES Flexibase

12209947

Analogs

12209971
12208099

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3-chlorophenyl)-4-(1,1-dioxot…

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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)	3.99	-6.87	-19.09	1	6	0	84	428.963	4	↓ MOL2 SDF SMILES Flexibase

12209952

Analogs

12208106

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(4-chlorophenyl)-4-(1,1-dioxot…

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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)	4.01	-6.87	-17.51	1	6	0	84	428.963	4	↓ MOL2 SDF SMILES Flexibase

12209955

Analogs

12208109

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3-chloro-2-methyl-phenyl)-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)	4.37	-6.54	-17.19	1	6	0	84	442.99	4	↓ MOL2 SDF SMILES Flexibase

12209960

Analogs

12208114

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(5-chloro-2-methyl-phenyl)-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)	4.39	-6.36	-17.39	1	6	0	84	442.99	4	↓ MOL2 SDF SMILES Flexibase

12209966

Analogs

12208118

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methyl-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(4-chloro-2-methyl-phenyl)-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)	4.39	-6.36	-16.87	1	6	0	84	442.99	4	↓ MOL2 SDF SMILES Flexibase

12209971

Analogs

12208124
12209947

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3-chloro-4-methyl-phenyl)-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)	4.39	-6.55	-17.01	1	6	0	84	442.99	4	↓ MOL2 SDF SMILES Flexibase

12209976

Analogs

12208130

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3-chloro-4-fluoro-phenyl)-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)	4.11	-6.14	-17.27	1	6	0	84	446.953	4	↓ MOL2 SDF SMILES Flexibase

12209980

Analogs

12208135

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2-chloro-4,6-dimethyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.77	-5.53	-18.3	1	6	0	84	457.017	4	↓ MOL2 SDF SMILES Flexibase

12209985

Analogs

12208141

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3-chloro-4-methoxy-phenyl)-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)	4.00	-6.81	-18.36	1	7	0	93	458.989	5	↓ MOL2 SDF SMILES Flexibase

12209992

Analogs

12208147

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(5-chloro-2-methoxy-phenyl)-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)	4.00	-6.41	-17.29	1	7	0	93	458.989	5	↓ MOL2 SDF SMILES Flexibase

12209996

Analogs

12210157
12208149

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(4-bromophenyl)-4-(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)	4.14	-7.48	-17.45	1	6	0	84	473.414	4	↓ MOL2 SDF SMILES Flexibase

12210002

Analogs

12210145
12208155

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-bromo-4-methyl-phenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3-bromo-4-methyl-phenyl)-4-(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)	4.52	-7.13	-17.03	1	6	0	84	487.441	4	↓ MOL2 SDF SMILES Flexibase

12210009

Analogs

12210034
12208165

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	3.35	-6.27	-18.39	1	7	0	93	424.544	5	↓ MOL2 SDF SMILES Flexibase

12210012

Analogs

12208169

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	3.37	-6.35	-18.24	1	7	0	93	424.544	5	↓ MOL2 SDF SMILES Flexibase

12210016

Analogs

12208178

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(4-methoxyphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	3.39	-6.71	-18.49	1	7	0	93	424.544	5	↓ MOL2 SDF SMILES Flexibase

12210021

Analogs

12210039
12208202
12208181

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-ethoxyphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	3.72	-6.67	-19.5	1	7	0	93	438.571	6	↓ MOL2 SDF SMILES Flexibase

12210025

Analogs

12210043
12208188

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(4-ethoxyphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	3.77	-6.7	-18.32	1	7	0	93	438.571	6	↓ MOL2 SDF SMILES Flexibase

12210034

Analogs

12210009
12208194

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-methoxy-5-methyl-phenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	3.77	-5.94	-18.47	1	7	0	93	438.571	5	↓ MOL2 SDF SMILES Flexibase

12210039

Analogs

12208202
12210021
12208181

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-isopropoxyphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	4.08	-6.38	-19.22	1	7	0	93	452.598	6	↓ MOL2 SDF SMILES Flexibase

12210043

Analogs

12208209
12210025

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(4-isopropoxyphenyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(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)	4.13	-6.43	-18.88	1	7	0	93	452.598	6	↓ MOL2 SDF SMILES Flexibase

12210048

Analogs

12208212

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2,5-dimethoxyphenyl)-4-(1,1-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	-6.26	-19.25	1	8	0	102	454.57	6	↓ MOL2 SDF SMILES Flexibase

12210053

Analogs

12208228

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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)	4.18	-4.32	-19.01	1	6	0	84	462.515	5	↓ MOL2 SDF SMILES Flexibase

12210057

Analogs

12208233

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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)	4.21	-4.19	-17.38	1	6	0	84	462.515	5	↓ MOL2 SDF SMILES Flexibase

12210061

Analogs

12208239

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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)	4.23	-4.56	-18.05	1	6	0	84	462.515	5	↓ MOL2 SDF SMILES Flexibase

12210069

Analogs

12208244

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-phenyl]sulfonylamino]benzamide 2-[[4-(1,1-dioxothiazinan-2-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)	2.11	-9.18	-24.93	3	8	0	127	437.543	5	↓ MOL2 SDF SMILES Flexibase

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