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ZINC Item

Suppliers, Protomers, & Similar Substances

20614727

Analogs

20614792
39703470

Draw Identity 99% 90% 80% 70%

Popular Name: (3-nitrophenyl)-[4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (3-nitrophenyl)-[4-(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)	2.52	7.32	-23.04	0	9	0	113	445.497	4	↓ MOL2 SDF SMILES Flexibase

20614733

Analogs

20605159

Draw Identity 99% 90% 80% 70%

Popular Name: (4-tert-butylphenyl)-[4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-tert-butylphenyl)-[4-(p-tolyl…

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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)	4.29	9.04	-13.95	0	6	0	67	456.608	4	↓ MOL2 SDF SMILES Flexibase

20614736

Analogs

4586307
17040881
12342391

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-methoxyphenyl)-[4-(4-methoxyp…

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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)	2.25	4.63	-18.23	0	8	0	85	446.525	5	↓ MOL2 SDF SMILES Flexibase

20614742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-fluorophenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (3-fluorophenyl)-[4-(4-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	5.43	-15.39	0	7	0	76	434.489	4	↓ MOL2 SDF SMILES Flexibase

20614746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromophenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (3-bromophenyl)-[4-(4-methoxyphe…

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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)	2.98	5.98	-14.72	0	7	0	76	495.395	4	↓ MOL2 SDF SMILES Flexibase

20614750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chloro-3-nitro-phenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-chloro-3-nitro-phenyl)-[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)	2.76	6.42	-17.08	0	10	0	122	495.941	5	↓ MOL2 SDF SMILES Flexibase

20614752

Analogs

38786222
17010464

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(m-tolyl)methanone [4-(4-methoxyphenyl)sulfonyl-1-o…

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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)	2.62	6	-18.14	0	7	0	76	430.526	4	↓ MOL2 SDF SMILES Flexibase

20614760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: o-tolyl-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone o-tolyl-[4-(2,4,6-trimethylpheny…

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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	8.66	-15.77	0	6	0	67	442.581	3	↓ MOL2 SDF SMILES Flexibase

20614762

Analogs

39703470

Draw Identity 99% 90% 80% 70%

Popular Name: (3-nitrophenyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (3-nitrophenyl)-[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)	3.27	8.73	-22.31	0	9	0	113	473.551	4	↓ MOL2 SDF SMILES Flexibase

20614770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (2-fluorophenyl)-[4-(2,4,6-trime…

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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	8.12	-21.48	0	6	0	67	446.544	3	↓ MOL2 SDF SMILES Flexibase

20614772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (3-fluorophenyl)-[4-(2,4,6-trime…

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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)	3.48	8.14	-18.36	0	6	0	67	446.544	3	↓ MOL2 SDF SMILES Flexibase

20614774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-fluorophenyl)-[4-(2,4,6-trime…

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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	8.13	-15.7	0	6	0	67	446.544	3	↓ MOL2 SDF SMILES Flexibase

20614778

Analogs

16838886

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethoxyphenyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-ethoxyphenyl)-[4-(2,4,6-trime…

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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	7.27	-17.78	0	7	0	76	472.607	5	↓ MOL2 SDF SMILES Flexibase

20614780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (4-chlorophenyl)-[4-(2,4,6-trime…

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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)	4.02	8.58	-15.5	0	6	0	67	462.999	3	↓ MOL2 SDF SMILES Flexibase

20614783

Analogs

17052477

Draw Identity 99% 90% 80% 70%

Popular Name: m-tolyl-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone m-tolyl-[4-(2,4,6-trimethylpheny…

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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	8.6	-17.56	0	6	0	67	442.581	3	↓ MOL2 SDF SMILES Flexibase

20614785

Analogs

39703551
39703556
16994231

Draw Identity 99% 90% 80% 70%

Popular Name: p-tolyl-[4-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone p-tolyl-[4-(2,4,6-trimethylpheny…

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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	8.61	-17.25	0	6	0	67	442.581	3	↓ MOL2 SDF SMILES Flexibase

20614792

Analogs

39703470
20614727

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(3-nitrophenyl)methanone [4-(benzenesulfonyl)-1-oxa-4,8-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)	2.07	6.65	-23.37	0	9	0	113	431.47	4	↓ MOL2 SDF SMILES Flexibase

20614795

Analogs

38936472
17050850

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2,6-difluorophenyl)methanone [4-(benzenesulfonyl)-1-oxa-4,8-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)	2.37	6.34	-21.58	0	6	0	67	422.453	3	↓ MOL2 SDF SMILES Flexibase

20614797

Analogs

17050876

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-[3-(trifluoromethyl)phenyl]methanone [4-(benzenesulfonyl)-1-oxa-4,8-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)	3.01	7.06	-14.56	0	6	0	67	454.47	4	↓ MOL2 SDF SMILES Flexibase

15941390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dichlorophenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (2,4-dichlorophenyl)-[4-(4-metho…

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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)	3.48	6.42	-13.84	0	7	0	76	485.389	4	↓ MOL2 SDF SMILES Flexibase

15941392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-chloro-6-fluoro-phenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanon (2-chloro-6-fluoro-phenyl)-[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)	2.94	6.04	-17.75	0	7	0	76	468.934	4	↓ MOL2 SDF SMILES Flexibase

15941394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromophenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (2-bromophenyl)-[4-(4-methoxyphe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	5.99	-15.82	0	7	0	76	495.395	4	↓ MOL2 SDF SMILES Flexibase

15941396

Analogs

17191303

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dichlorophenyl)-[4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (2,4-dichlorophenyl)-[4-(p-tolyl…

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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)	3.87	7.78	-12.81	0	6	0	67	469.39	3	↓ MOL2 SDF SMILES Flexibase

15941398

Analogs

15882636

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dichlorophenyl)-[4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (2,5-dichlorophenyl)-[4-(p-tolyl…

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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)	3.87	7.79	-13.32	0	6	0	67	469.39	3	↓ MOL2 SDF SMILES Flexibase

15941400

Analogs

21114292

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromophenyl)-[4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (2-bromophenyl)-[4-(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)	3.35	7.38	-14.96	0	6	0	67	479.396	3	↓ MOL2 SDF SMILES Flexibase

38568305

Analogs

20603694
20603722

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile 4-[4-(4-chlorophenyl)sulfonyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	7.01	-14.16	0	7	0	91	445.928	3	↓ MOL2 SDF SMILES Flexibase

38568306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carbonyl]benzonitrile 3-[4-(4-chlorophenyl)sulfonyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.55	7.01	-14.86	0	7	0	91	445.928	3	↓ MOL2 SDF SMILES Flexibase

38568308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone [4-(4-chlorophenyl)sulfonyl-1-ox…

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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)	3.73	8.06	-13.26	0	6	0	67	448.972	4	↓ MOL2 SDF SMILES Flexibase

38568309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2,5-dimethylphenyl)methanone [4-(4-chlorophenyl)sulfonyl-1-ox…

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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)	3.64	7.92	-15.5	0	6	0	67	448.972	3	↓ MOL2 SDF SMILES Flexibase

38568310

Analogs

38568320
20603652

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2,4-dimethylphenyl)methanone [4-(4-chlorophenyl)sulfonyl-1-ox…

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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)	3.64	7.91	-15.72	0	6	0	67	448.972	3	↓ MOL2 SDF SMILES Flexibase

38568316

Analogs

15780578

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone [4-(4-chlorophenyl)sulfonyl-1-ox…

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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)	3.07	6.8	-13.96	0	6	0	67	456.898	3	↓ MOL2 SDF SMILES Flexibase

38568319

Analogs

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Popular Name: [4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-propylphenyl)methanone [4-(4-chlorophenyl)sulfonyl-1-ox…

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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)	4.12	8.84	-13.09	0	6	0	67	462.999	5	↓ MOL2 SDF SMILES Flexibase

38568320

Analogs

38568310
20603652

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Popular Name: [4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2,4,6-trimethylphenyl)methanone [4-(4-chlorophenyl)sulfonyl-1-ox…

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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)	4.02	8.54	-15.31	0	6	0	67	462.999	3	↓ MOL2 SDF SMILES Flexibase

38568328

Analogs

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Popular Name: [4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanylphenyl)methanone [4-(4-chlorophenyl)sulfonyl-1-ox…

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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)	3.20	7.63	-15.86	0	6	0	67	467.012	4	↓ MOL2 SDF SMILES Flexibase

38568333

Analogs

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Popular Name: (2-chloro-4-fluoro-phenyl)-[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone (2-chloro-4-fluoro-phenyl)-[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)	3.58	7.2	-12.52	0	6	0	67	473.353	3	↓ MOL2 SDF SMILES Flexibase

38568336

Analogs

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Popular Name: methyl 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)	2.99	7.28	-14.33	0	8	0	93	478.954	5	↓ MOL2 SDF SMILES Flexibase

38568367

Analogs

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Popular Name: [4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(2,3,4-trimethoxyphenyl)methanone [4-(4-chlorophenyl)sulfonyl-1-ox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	5.99	-16.41	0	9	0	95	510.996	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 73976
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 = 73976 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=73976&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "73976"        

    });
</script>

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