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ZINC Item

Suppliers, Protomers, & Similar Substances

40438625

Analogs

36797028
36797029

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(4-bromo-3-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(4-bromo-3-methyl-ph…

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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)	3.67	5.76	-7.04	0	4	0	47	374.3	2	↓ MOL2 SDF SMILES Flexibase

40438627

Analogs

36797028
36797029

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(4-bromo-3-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(4-bromo-3-methyl-ph…

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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)	3.67	5.8	-7.52	0	4	0	47	374.3	2	↓ MOL2 SDF SMILES Flexibase

40438629

Analogs

36796824
36796825

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(2-bromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(2-bromophenyl)sulfo…

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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)	3.25	4.68	-8.55	0	4	0	47	360.273	2	↓ MOL2 SDF SMILES Flexibase

40438631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(2-bromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(2-bromophenyl)sulfo…

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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)	3.25	4.98	-8.37	0	4	0	47	360.273	2	↓ MOL2 SDF SMILES Flexibase

40438633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(5-bromo-2-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(5-bromo-2-methyl-ph…

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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)	3.67	5.59	-8.05	0	4	0	47	374.3	2	↓ MOL2 SDF SMILES Flexibase

40438635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(5-bromo-2-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(5-bromo-2-methyl-ph…

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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)	3.67	5.57	-8.51	0	4	0	47	374.3	2	↓ MOL2 SDF SMILES Flexibase

40438637

Analogs

36796899

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(2-bromo-4-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(2-bromo-4-methyl-ph…

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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)	3.67	5.35	-8.09	0	4	0	47	374.3	2	↓ MOL2 SDF SMILES Flexibase

40438639

Analogs

36796899

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(2-bromo-4-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(2-bromo-4-methyl-ph…

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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)	3.67	5.52	-8.54	0	4	0	47	374.3	2	↓ MOL2 SDF SMILES Flexibase

40438642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(2,5-dibromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(2,5-dibromophenyl)s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.31	-6.78	0	4	0	47	439.169	2	↓ MOL2 SDF SMILES Flexibase

40438644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(2,5-dibromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(2,5-dibromophenyl)s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.61	-6.88	0	4	0	47	439.169	2	↓ MOL2 SDF SMILES Flexibase

40438646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(4-bromo-2-chloro-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(4-bromo-2-chloro-ph…

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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)	3.90	5.25	-6.39	0	4	0	47	394.718	2	↓ MOL2 SDF SMILES Flexibase

40438648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(4-bromo-2-chloro-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(4-bromo-2-chloro-ph…

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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)	3.90	5.41	-6.93	0	4	0	47	394.718	2	↓ MOL2 SDF SMILES Flexibase

40438650

Analogs

6627210
6627226

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(4-bromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(4-bromophenyl)sulfo…

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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	5.2	-6.92	0	4	0	47	360.273	2	↓ MOL2 SDF SMILES Flexibase

40438652

Analogs

6627210
6627226

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(4-bromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(4-bromophenyl)sulfo…

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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	5.23	-7.52	0	4	0	47	360.273	2	↓ MOL2 SDF SMILES Flexibase

40438654

Analogs

43424283
43424284
36796830

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(3-bromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(3-bromophenyl)sulfo…

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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)	3.27	5.19	-7.7	0	4	0	47	360.273	2	↓ MOL2 SDF SMILES Flexibase

40438656

Analogs

43424283
43424284
36796830

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(3-bromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(3-bromophenyl)sulfo…

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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)	3.27	5.24	-8.27	0	4	0	47	360.273	2	↓ MOL2 SDF SMILES Flexibase

40446282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(2,4-dibromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(2,4-dibromophenyl)s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.3	-6.37	0	4	0	47	439.169	2	↓ MOL2 SDF SMILES Flexibase

40446283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(2,4-dibromophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(2,4-dibromophenyl)s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.47	-6.86	0	4	0	47	439.169	2	↓ MOL2 SDF SMILES Flexibase

40446284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(2-bromo-4-fluoro-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(2-bromo-4-fluoro-ph…

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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	4.75	-6.62	0	4	0	47	378.263	2	↓ MOL2 SDF SMILES Flexibase

40446285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(2-bromo-4-fluoro-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(2-bromo-4-fluoro-ph…

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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	4.92	-7.08	0	4	0	47	378.263	2	↓ MOL2 SDF SMILES Flexibase

40554289

Analogs

43426938
43426940

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]benzonitrile 3-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-…

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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)	2.22	4.96	-10.81	0	5	0	70	306.387	2	↓ MOL2 SDF SMILES Flexibase

40554290

Analogs

43426938
43426940

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]benzonitrile 3-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-…

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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)	2.22	5	-11.32	0	5	0	70	306.387	2	↓ MOL2 SDF SMILES Flexibase

40554291

Analogs

34579734
39291694

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]benzonitrile 4-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-…

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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)	2.24	4.97	-9.59	0	5	0	70	306.387	2	↓ MOL2 SDF SMILES Flexibase

40554292

Analogs

39291694

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]benzonitrile 4-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-…

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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)	2.24	5.01	-10.27	0	5	0	70	306.387	2	↓ MOL2 SDF SMILES Flexibase

40554293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(2,5-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(2,5-dimethoxyphenyl…

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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)	2.53	3.51	-11.45	0	6	0	65	341.429	4	↓ MOL2 SDF SMILES Flexibase

40554294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(2,5-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(2,5-dimethoxyphenyl…

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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)	2.53	3.72	-12.48	0	6	0	65	341.429	4	↓ MOL2 SDF SMILES Flexibase

40554295

Analogs

36796896
36796897

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(3-fluoro-4-methoxy-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(3-fluoro-4-methoxy-…

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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)	2.63	3.95	-9.86	0	5	0	56	329.393	3	↓ MOL2 SDF SMILES Flexibase

40554296

Analogs

36796896
36796897

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(3-fluoro-4-methoxy-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(3-fluoro-4-methoxy-…

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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)	2.63	3.98	-10.49	0	5	0	56	329.393	3	↓ MOL2 SDF SMILES Flexibase

40554297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]benzamide 4-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-…

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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)	1.30	1.35	-13.33	2	6	0	90	324.402	3	↓ MOL2 SDF SMILES Flexibase

40554298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]benzamide 4-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-…

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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)	1.30	1.39	-13.79	2	6	0	90	324.402	3	↓ MOL2 SDF SMILES Flexibase

40554299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]phenyl]ethanone 1-[4-[[(4aS,8aS)-2,3,4a,5,6,7,8,…

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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	5.07	-11.57	0	5	0	64	323.414	3	↓ MOL2 SDF SMILES Flexibase

40554300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]phenyl]ethanone 1-[4-[[(4aS,8aR)-2,3,4a,5,6,7,8,…

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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	5.11	-12.28	0	5	0	64	323.414	3	↓ MOL2 SDF SMILES Flexibase

40554301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]phenyl]ethanone 1-[3-[[(4aS,8aS)-2,3,4a,5,6,7,8,…

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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)	2.36	5.05	-14.01	0	5	0	64	323.414	3	↓ MOL2 SDF SMILES Flexibase

40554302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]phenyl]ethanone 1-[3-[[(4aS,8aR)-2,3,4a,5,6,7,8,…

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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)	2.36	5.09	-14.86	0	5	0	64	323.414	3	↓ MOL2 SDF SMILES Flexibase

40554303

Analogs

43428366
43428367
43428368
43428369

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(4-methoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(4-methoxyphenyl)sul…

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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)	2.54	3.87	-8.6	0	5	0	56	311.403	3	↓ MOL2 SDF SMILES Flexibase

40554304

Analogs

43428366
43428367
43428368
43428369

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(4-methoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(4-methoxyphenyl)sul…

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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)	2.54	3.91	-9.08	0	5	0	56	311.403	3	↓ MOL2 SDF SMILES Flexibase

41194975

Analogs

41194978
43428242
43428243
43428366
43428367

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(benzenesulfonyl)-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)	2.48	4.57	-8.2	0	4	0	47	281.377	2	↓ MOL2 SDF SMILES Flexibase

41194978

Analogs

43428242
43428243
43428366
43428367
43428368

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(benzenesulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(benzenesulfonyl)-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)	2.48	4.61	-8.73	0	4	0	47	281.377	2	↓ MOL2 SDF SMILES Flexibase

41194980

Analogs

41194983
43427736
43427737
43428260
43428261

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(p-tolylsulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(p-tolylsulfonyl)-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)	2.93	5.25	-8.06	0	4	0	47	295.404	2	↓ MOL2 SDF SMILES Flexibase

41194983

Analogs

43427736
43427737
43428260
43428261
43429015

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(p-tolylsulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(p-tolylsulfonyl)-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)	2.93	5.29	-8.59	0	4	0	47	295.404	2	↓ MOL2 SDF SMILES Flexibase

41194986

Analogs

41194989
33761724
33761725

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(4-chlorophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(4-chlorophenyl)sulf…

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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)	3.16	5.09	-7.02	0	4	0	47	315.822	2	↓ MOL2 SDF SMILES Flexibase

41194989

Analogs

33761724
33761725
41194986

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(4-chlorophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(4-chlorophenyl)sulf…

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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)	3.16	5.13	-7.53	0	4	0	47	315.822	2	↓ MOL2 SDF SMILES Flexibase

41194992

Analogs

41194995

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(4-fluoro-3-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(4-fluoro-3-methyl-p…

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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)	3.02	5.27	-7.33	0	4	0	47	313.394	2	↓ MOL2 SDF SMILES Flexibase

41194995

Analogs

41194992

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(4-fluoro-3-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(4-fluoro-3-methyl-p…

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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)	3.02	5.31	-7.82	0	4	0	47	313.394	2	↓ MOL2 SDF SMILES Flexibase

41194998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(4-fluoro-2-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(4-fluoro-2-methyl-p…

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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)	3.02	5.04	-7.3	0	4	0	47	313.394	2	↓ MOL2 SDF SMILES Flexibase

41195000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(4-fluoro-2-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(4-fluoro-2-methyl-p…

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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)	3.02	5.01	-7.63	0	4	0	47	313.394	2	↓ MOL2 SDF SMILES Flexibase

41195003

Analogs

41195006
43703027
43703028

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(2-methoxy-5-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)	2.92	4.89	-10.2	0	5	0	56	325.43	3	↓ MOL2 SDF SMILES Flexibase

41195006

Analogs

43703027
43703028
41195003

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(2-methoxy-5-methyl-phenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(2-methoxy-5-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)	2.92	5.09	-10.96	0	5	0	56	325.43	3	↓ MOL2 SDF SMILES Flexibase

41195008

Analogs

41195011

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aS)-4-(3,4-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aS)-4-(3,4-dimethoxyphenyl…

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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)	2.13	3.78	-10.58	0	6	0	65	341.429	4	↓ MOL2 SDF SMILES Flexibase

41195011

Analogs

41195008

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (4aS,8aR)-4-(3,4-dimethoxyphenyl…

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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)	2.13	3.82	-11.02	0	6	0	65	341.429	4	↓ 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

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<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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