ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

9708484

Analogs

38568391

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(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)	3.61	-7.74	-13.21	0	7	0	83	471	4	↓ MOL2 SDF SMILES Flexibase

9708485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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)	3.76	-6.85	-14.12	0	7	0	83	464.609	4	↓ MOL2 SDF SMILES Flexibase

9708486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethoxyphenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethoxyphenyl)sulfonyl-…

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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)	2.97	-7.15	-17.33	0	9	0	102	496.607	6	↓ MOL2 SDF SMILES Flexibase

9708487

Analogs

9708516

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)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)	3.36	-6.83	-16.42	0	8	0	93	480.608	5	↓ MOL2 SDF SMILES Flexibase

9708490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-difluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-difluorophenyl)sulfonyl-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)	2.79	3.18	-14.94	0	8	0	93	488.534	5	↓ MOL2 SDF SMILES Flexibase

9708491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(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)	2.70	3.28	-14.19	0	8	0	93	470.544	5	↓ MOL2 SDF SMILES Flexibase

9708492

Analogs

9708505

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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)	3.74	5.17	-14.93	0	8	0	93	494.635	5	↓ MOL2 SDF SMILES Flexibase

9708493

Analogs

9708496
12342419
4850473

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-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)	2.54	3.21	-15.43	0	8	0	93	452.554	5	↓ MOL2 SDF SMILES Flexibase

9708494

Analogs

12342407

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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)	2.99	3.89	-16.49	0	8	0	93	466.581	5	↓ MOL2 SDF SMILES Flexibase

9708495

Analogs

38568408

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-chlorophenyl)sulfonyl-4-(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)	3.22	3.73	-13.99	0	8	0	93	486.999	5	↓ MOL2 SDF SMILES Flexibase

9708496

Analogs

12342419
4850473

Draw Identity 99% 90% 80% 70%

Popular Name: 4,8-bis[(4-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane 4,8-bis[(4-methoxyphenyl)sulfony…

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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)	2.60	2.51	-16.96	0	9	0	102	482.58	6	↓ MOL2 SDF SMILES Flexibase

9708497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methoxyphenyl)sulfonyl-8-(4-nitrophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(4-methoxyphenyl)sulfonyl-8-(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)	2.50	3.92	-15.84	0	11	0	139	497.551	6	↓ MOL2 SDF SMILES Flexibase

9708498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluoro-2-methyl-phenyl)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)	3.08	3.52	-15	0	8	0	93	484.571	5	↓ MOL2 SDF SMILES Flexibase

9708499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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)	3.36	4.2	-17.09	0	8	0	93	480.608	5	↓ MOL2 SDF SMILES Flexibase

9708500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)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)	2.97	3.72	-18.97	0	9	0	102	496.607	6	↓ MOL2 SDF SMILES Flexibase

9708502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-(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)	3.85	-5.77	-13.87	0	7	0	83	482.599	4	↓ MOL2 SDF SMILES Flexibase

9708503

Analogs

9708504
9708511
12342405
38567816
38633481

Draw Identity 99% 90% 80% 70%

Popular Name: 8-phenylsulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-phenylsulfonyl-4-(2,4,6-trimet…

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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)	3.68	-6.51	-15.43	0	7	0	83	464.609	4	↓ MOL2 SDF SMILES Flexibase

9708504

Analogs

9708511
12342405
38567816
38633481
4850476

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(p-tolylsulfonyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(p-tolylsulfonyl)-4-(2,4,6-tri…

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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	6.03	-15.88	0	7	0	84	478.636	4	↓ MOL2 SDF SMILES Flexibase

9708505

Analogs

9708492

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-methoxyphenyl)sulfonyl-4-(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)	3.74	4.72	-15.3	0	8	0	93	494.635	5	↓ MOL2 SDF SMILES Flexibase

9708506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluoro-2-methyl-phenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]deca 8-(4-fluoro-2-methyl-phenyl)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)	4.22	-5.2	-13.91	0	7	0	83	496.626	4	↓ MOL2 SDF SMILES Flexibase

9708507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluoro-3-methyl-phenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]deca 8-(4-fluoro-3-methyl-phenyl)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)	4.22	-5.49	-14.06	0	7	0	83	496.626	4	↓ MOL2 SDF SMILES Flexibase

9708508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethylphenyl)sulfonyl-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)	4.51	-5.62	-15.44	0	7	0	83	492.663	4	↓ MOL2 SDF SMILES Flexibase

9708510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluorophenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluorophenyl)sulfonyl-4-phe…

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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)	2.65	-7.18	-13.66	0	7	0	83	440.518	4	↓ MOL2 SDF SMILES Flexibase

9708511

Analogs

12342405
38567816
38633481
4850476
9708503

Draw Identity 99% 90% 80% 70%

Popular Name: 4-phenylsulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(2,4,6-trimet…

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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)	3.68	-6.47	-14.67	0	7	0	83	464.609	4	↓ MOL2 SDF SMILES Flexibase

9708512

Analogs

12342406
35590108
39703473

Draw Identity 99% 90% 80% 70%

Popular Name: 4-phenylsulfonyl-8-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane 4-phenylsulfonyl-8-(p-tolylsulfo…

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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	-7.6	-14.92	0	7	0	83	436.555	4	↓ MOL2 SDF SMILES Flexibase

9708513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-nitrophenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-nitrophenyl)sulfonyl-4-phen…

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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)	2.44	-7.4	-15.33	0	10	0	129	467.525	5	↓ MOL2 SDF SMILES Flexibase

9708514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(4-fluoro-3-methyl-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(4-fluoro-3-methyl-phenyl)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)	3.02	-6.9	-13.83	0	7	0	83	454.545	4	↓ MOL2 SDF SMILES Flexibase

9708515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2,5-dimethoxyphenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2,5-dimethoxyphenyl)sulfonyl-…

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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)	2.52	3.05	-19.65	0	9	0	102	482.58	6	↓ MOL2 SDF SMILES Flexibase

9708516

Analogs

9708487

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(2-methoxy-5-methyl-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(2-methoxy-5-methyl-phenyl)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)	2.92	4.42	-18.5	0	8	0	93	466.581	5	↓ MOL2 SDF SMILES Flexibase

9708517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-(5-fluoro-2-methoxy-phenyl)sulfonyl-4-phenylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 8-(5-fluoro-2-methoxy-phenyl)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)	2.63	3.82	-18.06	0	8	0	93	470.544	5	↓ MOL2 SDF SMILES Flexibase

38567881

Analogs

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Popular Name: 4-(benzenesulfonyl)-8-(4-ethoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(4-ethoxyp…

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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	4.14	-16.22	0	8	0	93	466.581	6	↓ MOL2 SDF SMILES Flexibase

38567883

Analogs

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Popular Name: 4-(benzenesulfonyl)-8-(4-methoxy-2-methyl-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(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)	2.92	3.45	-16.19	0	8	0	93	466.581	5	↓ MOL2 SDF SMILES Flexibase

38567885

Analogs

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Popular Name: 4-(benzenesulfonyl)-8-(2-nitrophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(2-nitroph…

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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)	2.39	5.47	-29.41	0	10	0	130	467.525	5	↓ MOL2 SDF SMILES Flexibase

38567888

Analogs

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Popular Name: 4-(benzenesulfonyl)-8-(3-nitrophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(3-nitroph…

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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)	2.42	4.63	-19.27	0	10	0	130	467.525	5	↓ MOL2 SDF SMILES Flexibase

38567892

Analogs

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Popular Name: 4-(benzenesulfonyl)-8-(3-fluoro-4-methoxy-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(3-fluoro-…

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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	3.28	-15.43	0	8	0	93	470.544	5	↓ MOL2 SDF SMILES Flexibase

38567894

Analogs

38633524

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(3-chloro-2-methyl-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(3-chloro-…

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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)	3.51	4.65	-14.92	0	7	0	84	471	4	↓ MOL2 SDF SMILES Flexibase

38567895

Analogs

38633492
38633527

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(3-chloro-4-methyl-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(3-chloro-…

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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)	3.54	5.01	-13.65	0	7	0	84	471	4	↓ MOL2 SDF SMILES Flexibase

38567897

Analogs

38633530

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(5-chloro-2-methyl-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(5-chloro-…

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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)	3.54	4.67	-15.41	0	7	0	84	471	4	↓ MOL2 SDF SMILES Flexibase

38567905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(3-chloro-4-fluoro-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(3-chloro-…

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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	4.48	-14.35	0	7	0	84	474.963	4	↓ MOL2 SDF SMILES Flexibase

38567907

Analogs

38633510
38633556
38936512

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(4-tert-butylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(4-tert-bu…

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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)	4.19	6.24	-15.42	0	7	0	84	478.636	5	↓ MOL2 SDF SMILES Flexibase

38567908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(2,3,5,6-tetramethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(2,3,5,6-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)	4.06	6.38	-14.68	0	7	0	84	478.636	4	↓ MOL2 SDF SMILES Flexibase

38567910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]phenyl]acetamide N-[4-[[4-(benzenesulfonyl)-1-oxa…

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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)	1.70	2.82	-22.02	1	9	0	113	479.58	5	↓ MOL2 SDF SMILES Flexibase

38567913

Analogs

38633564

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(2-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)	3.29	4.97	-18.62	0	8	0	93	480.608	5	↓ MOL2 SDF SMILES Flexibase

38567915

Analogs

38633565

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(2-ethoxy-5-methyl-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(2-ethoxy-…

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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	5.34	-18.38	0	8	0	93	480.608	6	↓ MOL2 SDF SMILES Flexibase

38567918

Analogs

38567964
38567967
38633568

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(4-ethoxy-3-methyl-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(4-ethoxy-…

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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	4.87	-15.05	0	8	0	93	480.608	6	↓ MOL2 SDF SMILES Flexibase

38567920

Analogs

38633571
38786226
12342412

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(4-methoxy-3,5-dimethyl-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(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)	3.29	4.61	-15.06	0	8	0	93	480.608	5	↓ MOL2 SDF SMILES Flexibase

38567923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(4-propoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(4-propoxy…

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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)	3.42	4.94	-15.94	0	8	0	93	480.608	7	↓ MOL2 SDF SMILES Flexibase

38567925

Analogs

38633577

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(5-ethyl-2-methoxy-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(5-ethyl-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)	3.38	5.19	-17.53	0	8	0	93	480.608	6	↓ MOL2 SDF SMILES Flexibase

38567930

Analogs

38633582

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(2-methyl-5-nitro-phenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(2-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)	2.82	4.87	-18.53	0	10	0	130	481.552	5	↓ MOL2 SDF SMILES Flexibase

38567932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(benzenesulfonyl)-8-(2,4-dimethoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane 4-(benzenesulfonyl)-8-(2,4-dimet…

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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)	2.52	3.05	-18.38	0	9	0	102	482.58	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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