ZINC 12

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ZINC Item

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35637845

Analogs

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Popular Name: (3S)-4-(2-chlorobenzoyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3S)-4-(2-chlorobenzoyl)-8-(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)	0.08	6.9	-41.86	0	7	-1	90	393.847	3	↓ MOL2 SDF SMILES Flexibase

35637846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(2-chlorobenzoyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3R)-4-(2-chlorobenzoyl)-8-(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)	0.08	6.93	-38.69	0	7	-1	90	393.847	3	↓ MOL2 SDF SMILES Flexibase

35637847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(2-chlorobenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3S)-4-(2-chlorobenzoyl)-8-(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)	0.61	7.82	-42.54	0	7	-1	90	407.874	4	↓ MOL2 SDF SMILES Flexibase

35637848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(2-chlorobenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3R)-4-(2-chlorobenzoyl)-8-(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)	0.61	7.82	-38.44	0	7	-1	90	407.874	4	↓ MOL2 SDF SMILES Flexibase

35637853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-8-(2,2-dimethylpropanoyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3S)-8-(2,2-dimethylpropanoyl)-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)	0.09	5.91	-45.2	0	8	-1	99	403.455	4	↓ MOL2 SDF SMILES Flexibase

35637854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-8-(2,2-dimethylpropanoyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3R)-8-(2,2-dimethylpropanoyl)-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)	0.09	5.94	-45.06	0	8	-1	99	403.455	4	↓ MOL2 SDF SMILES Flexibase

35637877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3-methylbenzoyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3S)-4-(3-methylbenzoyl)-8-(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)	-0.13	7.01	-43.75	0	7	-1	90	373.429	3	↓ MOL2 SDF SMILES Flexibase

35637878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-methylbenzoyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3R)-4-(3-methylbenzoyl)-8-(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)	-0.13	7.02	-41.06	0	7	-1	90	373.429	3	↓ MOL2 SDF SMILES Flexibase

35637879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3-methylbenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3S)-4-(3-methylbenzoyl)-8-propa…

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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	6.65	-44.38	0	7	-1	90	359.402	3	↓ MOL2 SDF SMILES Flexibase

35637880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-methylbenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic (3R)-4-(3-methylbenzoyl)-8-propa…

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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	6.66	-41.19	0	7	-1	90	359.402	3	↓ MOL2 SDF SMILES Flexibase

35638897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(4-fluorobenzoyl)-N-(2-methoxyethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3S)-4-(4-fluorobenzoyl)-N-(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)	0.91	4.15	-15.85	1	8	0	88	435.496	6	↓ MOL2 SDF SMILES Flexibase

35638899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(4-fluorobenzoyl)-N-(2-methoxyethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3R)-4-(4-fluorobenzoyl)-N-(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)	0.91	4.24	-15.18	1	8	0	88	435.496	6	↓ MOL2 SDF SMILES Flexibase

35638901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(4-fluorobenzoyl)-N-isopropyl-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3S)-4-(4-fluorobenzoyl)-N-isopr…

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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)	1.60	5.34	-15.8	1	7	0	79	419.497	4	↓ MOL2 SDF SMILES Flexibase

35638903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(4-fluorobenzoyl)-N-isopropyl-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3R)-4-(4-fluorobenzoyl)-N-isopr…

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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)	1.60	5.91	-18.65	1	7	0	79	419.497	4	↓ MOL2 SDF SMILES Flexibase

35638909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-4-(4-fluorobenzoyl)-N-methyl-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-ca (3S)-N-ethyl-4-(4-fluorobenzoyl)…

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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	7.2	-18.3	0	7	0	70	419.497	4	↓ MOL2 SDF SMILES Flexibase

35638911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-4-(4-fluorobenzoyl)-N-methyl-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-ca (3R)-N-ethyl-4-(4-fluorobenzoyl)…

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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	6.36	-15.09	0	7	0	70	419.497	4	↓ MOL2 SDF SMILES Flexibase

35638963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(4-fluorobenzoyl)-N-isopropyl-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3S)-4-(4-fluorobenzoyl)-N-isopr…

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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	5.49	-15.99	1	7	0	79	405.47	4	↓ MOL2 SDF SMILES Flexibase

35638965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(4-fluorobenzoyl)-N-isopropyl-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3R)-4-(4-fluorobenzoyl)-N-isopr…

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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	5.19	-18.48	1	7	0	79	405.47	4	↓ MOL2 SDF SMILES Flexibase

35638967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(4-fluorobenzoyl)-N-[(1R)-1-methylpropyl]-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbo (3S)-4-(4-fluorobenzoyl)-N-[(1R)…

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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)	1.89	5.89	-18.14	1	7	0	79	419.497	5	↓ MOL2 SDF SMILES Flexibase

35638969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(4-fluorobenzoyl)-N-[(1S)-1-methylpropyl]-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbo (3S)-4-(4-fluorobenzoyl)-N-[(1S)…

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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)	1.89	5.96	-15.62	1	7	0	79	419.497	5	↓ MOL2 SDF SMILES Flexibase

35638971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(4-fluorobenzoyl)-N-[(1R)-1-methylpropyl]-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbo (3R)-4-(4-fluorobenzoyl)-N-[(1R)…

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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)	1.89	5.65	-17.95	1	7	0	79	419.497	5	↓ MOL2 SDF SMILES Flexibase

35638973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(4-fluorobenzoyl)-N-[(1S)-1-methylpropyl]-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbo (3R)-4-(4-fluorobenzoyl)-N-[(1S)…

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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)	1.89	5.9	-18.46	1	7	0	79	419.497	5	↓ MOL2 SDF SMILES Flexibase

35639135

Analogs

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Popular Name: (3S)-4-(4-methoxybenzoyl)-N-(2-methoxyethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3 (3S)-4-(4-methoxybenzoyl)-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)	0.81	3.38	-16.61	1	9	0	97	447.532	7	↓ MOL2 SDF SMILES Flexibase

35639137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(4-methoxybenzoyl)-N-(2-methoxyethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3 (3R)-4-(4-methoxybenzoyl)-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)	0.81	3.47	-16.24	1	9	0	97	447.532	7	↓ MOL2 SDF SMILES Flexibase

35639163

Analogs

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Popular Name: (3S)-4-(4-methoxybenzoyl)-N-[(1R)-1-methylpropyl]-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carb (3S)-4-(4-methoxybenzoyl)-N-[(1R…

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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)	1.79	5.13	-18.85	1	8	0	88	431.533	6	↓ MOL2 SDF SMILES Flexibase

35639165

Analogs

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Popular Name: (3S)-4-(4-methoxybenzoyl)-N-[(1S)-1-methylpropyl]-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carb (3S)-4-(4-methoxybenzoyl)-N-[(1S…

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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)	1.79	5.2	-18.61	1	8	0	88	431.533	6	↓ MOL2 SDF SMILES Flexibase

35639167

Analogs

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Popular Name: (3R)-4-(4-methoxybenzoyl)-N-[(1R)-1-methylpropyl]-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carb (3R)-4-(4-methoxybenzoyl)-N-[(1R…

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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)	1.79	4.89	-18.56	1	8	0	88	431.533	6	↓ MOL2 SDF SMILES Flexibase

35639169

Analogs

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Popular Name: (3R)-4-(4-methoxybenzoyl)-N-[(1S)-1-methylpropyl]-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carb (3R)-4-(4-methoxybenzoyl)-N-[(1S…

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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)	1.79	5.15	-18.81	1	8	0	88	431.533	6	↓ MOL2 SDF SMILES Flexibase

35639291

Analogs

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Popular Name: (3S)-N-(2-dimethylaminoethyl)-8-(2,2-dimethylpropanoyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4. (3S)-N-(2-dimethylaminoethyl)-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)	1.43	5.84	-58.91	2	9	1	93	475.61	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.62	3.37	-37.08	1	9	0	99	474.602	7	↓ MOL2 SDF SMILES Flexibase

35639293

Analogs

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Popular Name: (3R)-N-(2-dimethylaminoethyl)-8-(2,2-dimethylpropanoyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4. (3R)-N-(2-dimethylaminoethyl)-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)	1.43	5.78	-59.03	2	9	1	93	475.61	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.62	3.83	-38.62	1	9	0	99	474.602	7	↓ MOL2 SDF SMILES Flexibase

35639339

Analogs

6774206
6774204

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Popular Name: (3S)-4-benzoyl-N-ethyl-N-methyl-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3S)-4-benzoyl-N-ethyl-N-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)	1.39	7.14	-19.33	0	7	0	70	401.507	4	↓ MOL2 SDF SMILES Flexibase

35639341

Analogs

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Popular Name: (3R)-4-benzoyl-N-ethyl-N-methyl-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3R)-4-benzoyl-N-ethyl-N-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)	1.39	6.29	-15.52	0	7	0	70	401.507	4	↓ MOL2 SDF SMILES Flexibase

35639363

Analogs

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Popular Name: (3S)-4-benzoyl-N-(2-dimethylaminoethyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbo (3S)-4-benzoyl-N-(2-dimethylamin…

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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)	1.33	7.4	-60.88	2	8	1	83	445.584	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.51	4.47	-40.25	1	8	0	90	444.576	7	↓ MOL2 SDF SMILES Flexibase

35639365

Analogs

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Popular Name: (3R)-4-benzoyl-N-(2-dimethylaminoethyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbo (3R)-4-benzoyl-N-(2-dimethylamin…

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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)	1.33	7.28	-60.67	2	8	1	83	445.584	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.51	5.05	-37.42	1	8	0	90	444.576	7	↓ MOL2 SDF SMILES Flexibase

35639367

Analogs

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Popular Name: (3S)-4-benzoyl-N-(2-methoxyethyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3S)-4-benzoyl-N-(2-methoxyethyl…

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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)	0.51	3.83	-16.99	1	8	0	88	403.479	6	↓ MOL2 SDF SMILES Flexibase

35639369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-benzoyl-N-(2-methoxyethyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (3R)-4-benzoyl-N-(2-methoxyethyl…

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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)	0.51	3.71	-15.89	1	8	0	88	403.479	6	↓ MOL2 SDF SMILES Flexibase

35639533

Analogs

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Popular Name: (3S)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-c (3S)-4-benzoyl-8-(2,2-dimethylpr…

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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	6.49	-16.17	1	7	0	79	429.561	5	↓ MOL2 SDF SMILES Flexibase

35639535

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-c (3S)-4-benzoyl-8-(2,2-dimethylpr…

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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	6.5	-16.48	1	7	0	79	429.561	5	↓ MOL2 SDF SMILES Flexibase

35639537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-c (3R)-4-benzoyl-8-(2,2-dimethylpr…

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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	6.39	-15.58	1	7	0	79	429.561	5	↓ MOL2 SDF SMILES Flexibase

35639539

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-c (3R)-4-benzoyl-8-(2,2-dimethylpr…

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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	6.45	-16.32	1	7	0	79	429.561	5	↓ MOL2 SDF SMILES Flexibase

35639541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-benzoyl-N-(2-dimethylaminoethyl)-8-(2,2-dimethylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3S)-4-benzoyl-N-(2-dimethylamin…

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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)	1.38	6.55	-61.61	2	8	1	83	445.584	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.56	4.03	-39.25	1	8	0	90	444.576	6	↓ MOL2 SDF SMILES Flexibase

35639543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-benzoyl-N-(2-dimethylaminoethyl)-8-(2,2-dimethylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3- (3R)-4-benzoyl-N-(2-dimethylamin…

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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)	1.38	6.48	-61.67	2	8	1	83	445.584	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.56	4.52	-39.58	1	8	0	90	444.576	6	↓ MOL2 SDF SMILES Flexibase

35639594

Analogs

6773530
6773528

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]decan (3S)-4-(3-methylbenzoyl)-8-(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)	2.93	7.86	-17.96	1	7	0	79	443.588	6	↓ MOL2 SDF SMILES Flexibase

35639596

Analogs

6773530
6773528

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]decan (3S)-4-(3-methylbenzoyl)-8-(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)	2.93	7.93	-15.53	1	7	0	79	443.588	6	↓ MOL2 SDF SMILES Flexibase

35639598

Analogs

6773530
6773528

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-N-[(1R)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]decan (3R)-4-(3-methylbenzoyl)-8-(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)	2.93	7.61	-17.72	1	7	0	79	443.588	6	↓ MOL2 SDF SMILES Flexibase

35639600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-N-[(1S)-1-methylpropyl]-1-oxa-4,8-diazaspiro[4.5]decan (3R)-4-(3-methylbenzoyl)-8-(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)	2.93	7.88	-18.11	1	7	0	79	443.588	6	↓ MOL2 SDF SMILES Flexibase

35639739

Analogs

6771248
6771247
6777233

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-isopropyl-4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3S)-N-isopropyl-4-(2-methylbenz…

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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	6.18	-15.07	1	7	0	79	415.534	4	↓ MOL2 SDF SMILES Flexibase

35639741

Analogs

6771248
6771247
6777233

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-isopropyl-4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxa (3R)-N-isopropyl-4-(2-methylbenz…

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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	5.96	-17.2	1	7	0	79	415.534	4	↓ MOL2 SDF SMILES Flexibase

35639795

Analogs

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Popular Name: (3S)-N-(2-methoxyethyl)-4-(2-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-c (3S)-N-(2-methoxyethyl)-4-(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)	1.68	5.47	-14.71	1	8	0	88	445.56	7	↓ MOL2 SDF SMILES Flexibase

35639797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methoxyethyl)-4-(2-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-c (3R)-N-(2-methoxyethyl)-4-(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)	1.68	5.51	-16.18	1	8	0	88	445.56	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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SQL Query Was

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<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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