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ZINC Item

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32472269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2-bromobenzoyl)-N-(5-methylis…

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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	8.07	-18.37	1	6	0	75	392.253	3	↓ MOL2 SDF SMILES Flexibase

32472281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-tert-butylbenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(4-tert-butylbenzoyl)-N-(5-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)	3.02	9.76	-16.57	1	6	0	75	369.465	4	↓ MOL2 SDF SMILES Flexibase

32472289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3-chlorobenzoyl)-N-(5-methyli…

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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)	1.97	7.97	-18.11	1	6	0	75	347.802	3	↓ MOL2 SDF SMILES Flexibase

32472316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(4-methoxybenzoyl)-N-(5-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.37	6.75	-18.19	1	7	0	85	343.383	4	↓ MOL2 SDF SMILES Flexibase

32472324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichlorobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2,4-dichlorobenzoyl)-N-(5-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	8.48	-18.82	1	6	0	75	382.247	3	↓ MOL2 SDF SMILES Flexibase

32472328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dichlorobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3,4-dichlorobenzoyl)-N-(5-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	8.4	-17.81	1	6	0	75	382.247	3	↓ MOL2 SDF SMILES Flexibase

32472357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetamidobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(4-acetamidobenzoyl)-N-(5-meth…

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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)	0.53	5.98	-21.09	2	8	0	105	370.409	4	↓ MOL2 SDF SMILES Flexibase

32472361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3-bromobenzoyl)-N-(5-methylis…

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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)	2.10	8.09	-18.08	1	6	0	75	392.253	3	↓ MOL2 SDF SMILES Flexibase

32472409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide N-(5-methylisoxazol-3-yl)-1-(3,4…

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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)	0.94	6.24	-20.04	1	9	0	103	403.435	6	↓ MOL2 SDF SMILES Flexibase

32472413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dichlorobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3,5-dichlorobenzoyl)-N-(5-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	8.11	-15.15	1	6	0	75	382.247	3	↓ MOL2 SDF SMILES Flexibase

32472417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dimethoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2,3-dimethoxybenzoyl)-N-(5-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)	1.68	7.1	-23.66	1	8	0	94	373.409	5	↓ MOL2 SDF SMILES Flexibase

32472422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2,4-dimethoxybenzoyl)-N-(5-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)	1.90	6.01	-20.15	1	8	0	94	373.409	5	↓ MOL2 SDF SMILES Flexibase

32472456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3,4-dimethoxybenzoyl)-N-(5-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)	0.96	6.68	-20.58	1	8	0	94	373.409	5	↓ MOL2 SDF SMILES Flexibase

32472484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethylbenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2,4-dimethylbenzoyl)-N-(5-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)	2.14	8.38	-15.47	1	6	0	75	341.411	3	↓ MOL2 SDF SMILES Flexibase

32472525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-diethoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3,4-diethoxybenzoyl)-N-(5-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)	1.71	8.52	-20.26	1	8	0	94	401.463	7	↓ MOL2 SDF SMILES Flexibase

32472529

Analogs

26343010

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methylbenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3-methylbenzoyl)-N-(5-methyli…

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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)	1.74	8.16	-18.25	1	6	0	75	327.384	3	↓ MOL2 SDF SMILES Flexibase

32472533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-1-(2-methyl-3-nitro-benzoyl)piperidine-4-carboxamide N-(5-methylisoxazol-3-yl)-1-(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)	1.62	8.26	-21.65	1	9	0	121	372.381	4	↓ MOL2 SDF SMILES Flexibase

32472556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chloro-4-fluoro-benzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2-chloro-4-fluoro-benzoyl)-N-…

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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)	2.08	8.04	-19.2	1	6	0	75	365.792	3	↓ MOL2 SDF SMILES Flexibase

32472657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-butoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(4-butoxybenzoyl)-N-(5-methyli…

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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)	2.81	9.26	-17.61	1	7	0	85	385.464	7	↓ MOL2 SDF SMILES Flexibase

32472944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-isopropoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(4-isopropoxybenzoyl)-N-(5-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)	2.11	8.3	-17.12	1	7	0	85	371.437	5	↓ MOL2 SDF SMILES Flexibase

32473032

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)	1.48	7.77	-18.49	1	8	0	102	371.393	5	↓ MOL2 SDF SMILES Flexibase

32473125

Analogs

26343010

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-cyanobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3-cyanobenzoyl)-N-(5-methylis…

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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)	1.04	7.88	-18.49	1	7	0	99	338.367	3	↓ MOL2 SDF SMILES Flexibase

32473183

Analogs

4345280
4607829

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-1-(4-methyl-3-nitro-benzoyl)piperidine-4-carboxamide N-(5-methylisoxazol-3-yl)-1-(4-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)	1.65	8.62	-24.52	1	9	0	121	372.381	4	↓ MOL2 SDF SMILES Flexibase

32473233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-1-(2-methylsulfanylbenzoyl)piperidine-4-carboxamide N-(5-methylisoxazol-3-yl)-1-(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)	1.70	8.47	-19.4	1	6	0	75	359.451	4	↓ MOL2 SDF SMILES Flexibase

32473901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3,4-difluorobenzoyl)-N-(5-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)	1.57	7.56	-19.23	1	6	0	75	349.337	3	↓ MOL2 SDF SMILES Flexibase

49411886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-bromo-5-methoxy-benzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2-bromo-5-methoxy-benzoyl)-N-…

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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)	2.10	7.01	-16.71	1	7	0	85	422.279	4	↓ MOL2 SDF SMILES Flexibase

49411890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-cyanobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(4-cyanobenzoyl)-N-(5-methylis…

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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)	1.07	7.5	-19.46	1	7	0	99	338.367	3	↓ MOL2 SDF SMILES Flexibase

49411913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-1-(3,4,5-triethoxybenzoyl)piperidine-4-carboxamide N-(5-methylisoxazol-3-yl)-1-(3,4…

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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)	2.07	9.03	-20.08	1	9	0	103	445.516	9	↓ MOL2 SDF SMILES Flexibase

49411916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-iodobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2-iodobenzoyl)-N-(5-methyliso…

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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)	2.35	8.17	-16.79	1	6	0	75	439.253	3	↓ MOL2 SDF SMILES Flexibase

49411919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromo-2-chloro-benzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(5-bromo-2-chloro-benzoyl)-N-(…

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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)	2.73	8.24	-15.45	1	6	0	75	426.698	3	↓ MOL2 SDF SMILES Flexibase

49411921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-1-(3-nitrobenzoyl)piperidine-4-carboxamide N-(5-methylisoxazol-3-yl)-1-(3-n…

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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)	1.25	7.81	-24.64	1	9	0	121	358.354	4	↓ MOL2 SDF SMILES Flexibase

49411947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(diethylsulfamoyl)benzoyl]-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-[4-(diethylsulfamoyl)benzoyl]-…

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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	6.81	-22	1	9	0	113	448.545	7	↓ MOL2 SDF SMILES Flexibase

49411971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethylsulfanylbenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2-ethylsulfanylbenzoyl)-N-(5-…

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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	8.98	-19.54	1	6	0	75	373.478	5	↓ MOL2 SDF SMILES Flexibase

49412027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(dimethylamino)benzoyl]-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-[4-(dimethylamino)benzoyl]-N-(…

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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)	1.41	7.47	-18.05	1	7	0	79	356.426	4	↓ MOL2 SDF SMILES Flexibase

49412044

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(dimethylsulfamoyl)benzoyl]-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-[4-(dimethylsulfamoyl)benzoyl]…

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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)	0.62	5.1	-21.8	1	9	0	113	420.491	5	↓ MOL2 SDF SMILES Flexibase

41864365

Analogs

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Popular Name: 1-(2,5-dichlorobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2,5-dichlorobenzoyl)-N-(5-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	8.14	-15.55	1	6	0	75	382.247	3	↓ MOL2 SDF SMILES Flexibase

41864366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(dimethylamino)benzoyl]-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-[3-(dimethylamino)benzoyl]-N-(…

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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	7.5	-18.05	1	7	0	79	356.426	4	↓ MOL2 SDF SMILES Flexibase

41864367

Analogs

26343010

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylbenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3,5-dimethylbenzoyl)-N-(5-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)	2.14	8.41	-17.47	1	6	0	75	341.411	3	↓ MOL2 SDF SMILES Flexibase

41864450

Analogs

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Popular Name: N-(5-methylisoxazol-3-yl)-1-[3-(trifluoromethyl)benzoyl]piperidine-4-carboxamide N-(5-methylisoxazol-3-yl)-1-[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)	2.18	8.11	-19.6	1	6	0	75	381.354	4	↓ MOL2 SDF SMILES Flexibase

41864451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(difluoromethoxy)benzoyl]-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-[3-(difluoromethoxy)benzoyl]-N…

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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)	1.90	6.69	-19.91	1	7	0	85	379.363	5	↓ MOL2 SDF SMILES Flexibase

41864453

Analogs

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Popular Name: 1-(2-ethoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2-ethoxybenzoyl)-N-(5-methyli…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	7.67	-20.52	1	7	0	85	357.41	5	↓ MOL2 SDF SMILES Flexibase

41864605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxamide N-(5-methylisoxazol-3-yl)-1-[2-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	8.02	-21.39	1	6	0	75	381.354	4	↓ MOL2 SDF SMILES Flexibase

41864606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,6-difluorobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2,6-difluorobenzoyl)-N-(5-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)	1.54	7.36	-18.92	1	6	0	75	349.337	3	↓ MOL2 SDF SMILES Flexibase

41864607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylbenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(2,5-dimethylbenzoyl)-N-(5-met…

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Activity (Go SEA)

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)	2.14	8.4	-15.35	1	6	0	75	341.411	3	↓ MOL2 SDF SMILES Flexibase

41911015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methoxy-benzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(5-chloro-2-methoxy-benzoyl)-N…

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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	7.21	-17.55	1	7	0	85	377.828	4	↓ MOL2 SDF SMILES Flexibase

41933487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-difluorobenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3,5-difluorobenzoyl)-N-(5-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)	1.57	7.24	-15.73	1	6	0	75	349.337	3	↓ MOL2 SDF SMILES Flexibase

42007434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxybenzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(4-ethoxybenzoyl)-N-(5-methyli…

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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)	1.74	7.33	-17.5	1	7	0	85	357.41	5	↓ MOL2 SDF SMILES Flexibase

42007546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-hydroxy-benzoyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide 1-(3-chloro-4-hydroxy-benzoyl)-N…

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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	4.82	-19.25	2	7	0	96	363.801	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.70	5.59	-49.43	1	7	-1	98	362.793	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12364
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 = 12364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12364&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": "12364"        

    });
</script>

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