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ZINC Item

Suppliers, Protomers, & Similar Substances

21535527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide N-(3,4-dimethoxyphenyl)-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)	1.36	4.28	-25.5	1	9	0	111	424.475	5	↓ MOL2 SDF SMILES Flexibase

21535528

Analogs

15731353

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide N-(2-methoxyphenyl)-2-methyl-8-m…

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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)	1.72	4.48	-19.37	1	8	0	102	394.449	4	↓ MOL2 SDF SMILES Flexibase

21535534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide N-(3,5-dimethoxyphenyl)-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)	1.75	3.69	-23.81	1	9	0	111	424.475	5	↓ MOL2 SDF SMILES Flexibase

21535536

Analogs

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Popular Name: N-(4-ethylphenyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide N-(4-ethylphenyl)-3-methyl-8-met…

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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	6.58	-14.76	1	7	0	93	392.477	4	↓ MOL2 SDF SMILES Flexibase

21535539

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	4.65	-22.01	0	10	0	114	429.495	4	↓ MOL2 SDF SMILES Flexibase

21535542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide N-(3-fluorophenyl)-2-methyl-8-me…

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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)	1.85	5.12	-25.52	1	7	0	93	382.413	3	↓ MOL2 SDF SMILES Flexibase

21535545

Analogs

7006141
7006150
7006198

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-8-methylsulfonyl-3-oxo-N-(3-phenylpropyl)-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide 2-methyl-8-methylsulfonyl-3-oxo-…

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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	6.75	-22.36	1	7	0	93	406.504	6	↓ MOL2 SDF SMILES Flexibase

21535548

Analogs

7006166

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carb N-(1,3-benzodioxol-5-ylmethyl)-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)	1.30	3.86	-22.3	1	9	0	111	422.459	4	↓ MOL2 SDF SMILES Flexibase

21535550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-8-methylsulfonyl-2-oxo-N-(p-tolyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide 3-methyl-8-methylsulfonyl-2-oxo-…

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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)	2.16	5.8	-15	1	7	0	93	378.45	3	↓ MOL2 SDF SMILES Flexibase

21535553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide N-(2,5-dimethylphenyl)-3-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)	2.54	6.57	-21.33	1	7	0	93	392.477	3	↓ MOL2 SDF SMILES Flexibase

21535558

Analogs

7006133
7006144

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-(4-methylpiperazine-1-carbonyl)-8-methylsulfonyl-4-oxa-8-azaspiro[4.5]dec-1-en-3-one 2-methyl-1-(4-methylpiperazine-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)	0.15	2.43	-16.52	0	8	0	87	371.459	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.15	4.8	-66.78	1	8	1	88	372.467	2	↓ MOL2 SDF SMILES Flexibase

21535560

Analogs

7006126

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-benzylpiperazine-1-carbonyl)-2-methyl-8-methylsulfonyl-4-oxa-8-azaspiro[4.5]dec-1-en-3-one 1-(4-benzylpiperazine-1-carbonyl…

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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)	1.55	5.95	-17.07	0	8	0	87	447.557	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.55	8.28	-70.22	1	8	1	88	448.565	4	↓ MOL2 SDF SMILES Flexibase

21535563

Analogs

7006166

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxa N-[(3-methoxyphenyl)methyl]-2-me…

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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)	1.44	4.52	-20.26	1	8	0	102	408.476	5	↓ MOL2 SDF SMILES Flexibase

21535566

Analogs

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Popular Name: N-(3-ethylphenyl)-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide N-(3-ethylphenyl)-3-methyl-8-met…

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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	6.54	-21.43	1	7	0	93	392.477	4	↓ MOL2 SDF SMILES Flexibase

21535568

Analogs

7006150
7006198

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-8-methylsulfonyl-3-oxo-N-[(2R)-2-phenylpropyl]-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide 2-methyl-8-methylsulfonyl-3-oxo-…

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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	6.6	-23.45	1	7	0	93	406.504	5	↓ MOL2 SDF SMILES Flexibase

21535571

Analogs

7006150
7006198

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-8-methylsulfonyl-3-oxo-N-[(2S)-2-phenylpropyl]-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide 2-methyl-8-methylsulfonyl-3-oxo-…

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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	6.6	-23.46	1	7	0	93	406.504	5	↓ MOL2 SDF SMILES Flexibase

21535574

Analogs

7006176

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxa N-[2-(1-cyclohexenyl)ethyl]-2-me…

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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	6.2	-22.37	1	7	0	93	396.509	5	↓ MOL2 SDF SMILES Flexibase

21535576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-8-methylsulfonyl-N-(2-morpholinoethyl)-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide 2-methyl-8-methylsulfonyl-N-(2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.11	0.7	-23.96	1	9	0	105	401.485	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.11	3.04	-77.28	2	9	1	106	402.493	5	↓ MOL2 SDF SMILES Flexibase

21535579

Analogs

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Popular Name: N-(4-fluorophenyl)-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide N-(4-fluorophenyl)-2-methyl-8-me…

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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)	1.87	5.12	-23.91	1	7	0	93	382.413	3	↓ MOL2 SDF SMILES Flexibase

21535582

Analogs

15731356

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-8-methylsulfonyl-1-(piperidine-1-carbonyl)-4-oxa-8-azaspiro[4.5]dec-1-en-3-one 2-methyl-8-methylsulfonyl-1-(pip…

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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)	1.17	4.93	-16.68	0	7	0	84	356.444	2	↓ MOL2 SDF SMILES Flexibase

21535585

Analogs

7006166
20981041

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethoxyphenyl)methyl]-3-methyl-8-methylsulfonyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxam N-[(4-ethoxyphenyl)methyl]-3-met…

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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)	1.84	5.49	-20.43	1	8	0	102	422.503	6	↓ MOL2 SDF SMILES Flexibase

21535587

Analogs

7006168

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-2-methyl-8-methylsulfonyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxam N-[(3-fluorophenyl)methyl]-2-met…

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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)	1.55	5.27	-21.02	1	7	0	93	396.44	4	↓ MOL2 SDF SMILES Flexibase

21535590

Analogs

7006141
7006150
7006198

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-8-methylsulfonyl-2-oxo-N-[2-(p-tolyl)ethyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide 3-methyl-8-methylsulfonyl-2-oxo-…

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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)	2.27	6.7	-24.16	1	7	0	93	406.504	5	↓ MOL2 SDF SMILES Flexibase

21535593

Analogs

6902238
7006126

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-benzylpiperazine-1-carbonyl)-8-ethylsulfonyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one 4-(4-benzylpiperazine-1-carbonyl…

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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)	1.92	6.96	-16.65	0	8	0	87	461.584	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.92	9.29	-70.15	1	8	1	88	462.592	5	↓ MOL2 SDF SMILES Flexibase

57994818

Analogs

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Popular Name: 8-benzyl-2-methyl-1-(pyrrolidine-1-carbonyl)-4-oxa-8-azaspiro[4.5]dec-1-en-3-one 8-benzyl-2-methyl-1-(pyrrolidine…

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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)	2.68	8.9	-10.12	0	5	0	50	354.45	3	↓ MOL2 SDF SMILES Flexibase

57994832

Analogs

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Popular Name: 8-benzyl-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one 8-benzyl-4-[(3S,5S)-3,5-dimethyl…

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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	10.8	-9.13	0	5	0	50	396.531	3	↓ MOL2 SDF SMILES Flexibase

57994833

Analogs

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Popular Name: 8-benzyl-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one 8-benzyl-4-[(3R,5R)-3,5-dimethyl…

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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	11.04	-8.83	0	5	0	50	396.531	3	↓ MOL2 SDF SMILES Flexibase

57994841

Analogs

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Popular Name: 8-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide 8-benzyl-N-(3-ethoxypropyl)-3-me…

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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)	2.67	7.81	-9.2	1	6	0	68	386.492	8	↓ MOL2 SDF SMILES Flexibase

57994859

Analogs

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Popular Name: N-benzyl-8-ethyl-N-isopropyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide N-benzyl-8-ethyl-N-isopropyl-3-m…

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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)	3.33	9.66	-9.02	0	5	0	50	370.493	5	↓ MOL2 SDF SMILES Flexibase

57994865

Analogs

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Popular Name: 4-(azepane-1-carbonyl)-8-ethyl-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one 4-(azepane-1-carbonyl)-8-ethyl-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)	2.67	7.34	-7.87	0	5	0	50	320.433	2	↓ MOL2 SDF SMILES Flexibase

57994867

Analogs

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Popular Name: ethyl ethyl

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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)	2.27	8.34	-11.82	0	7	0	76	378.469	5	↓ MOL2 SDF SMILES Flexibase

57994886

Analogs

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Popular Name: N-[3-(dibutylamino)propyl]-8-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide N-[3-(dibutylamino)propyl]-8-eth…

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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	10.58	-50.32	2	6	1	63	408.607	12	↓ MOL2 SDF SMILES Flexibase

64541787

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Popular Name: 8-acetyl-N-cyclopropyl-2-methyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide 8-acetyl-N-cyclopropyl-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)	0.36	5.43	-13.11	1	6	0	76	292.335	2	↓ MOL2 SDF SMILES Flexibase

64541788

Analogs

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Popular Name: 8-acetyl-N-ethyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide 8-acetyl-N-ethyl-3-methyl-2-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	4.58	-13.84	1	6	0	76	280.324	2	↓ MOL2 SDF SMILES Flexibase

65314765

Analogs

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Popular Name: N-(4-acetylphenyl)-8-benzyl-2-methyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxamide N-(4-acetylphenyl)-8-benzyl-2-me…

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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)	3.63	10.26	-12.1	1	6	0	76	418.493	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.63	12.52	-58.58	2	6	1	77	419.501	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 84312
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 = 84312 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=84312&filter.purchasability=annotated

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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', {
        "ring.id": "84312"        

    });
</script>

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