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ZINC Item

Suppliers, Protomers, & Similar Substances

52894138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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	7.04	-12.34	1	7	0	77	378.469	8	↓ MOL2 SDF SMILES Flexibase

52894140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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	7.04	-12.23	1	7	0	77	378.469	8	↓ MOL2 SDF SMILES Flexibase

62856364

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-methyl-N-(2-phenoxyethyl)piperidine-3-carboxamide (3S)-3-ethyl-N-methyl-N-(2-pheno…

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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)	2.13	6.7	-45.46	2	4	1	46	291.415	6	↓ MOL2 SDF SMILES Flexibase

62856365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-methyl-N-(2-phenoxyethyl)piperidine-3-carboxamide (3R)-3-ethyl-N-methyl-N-(2-pheno…

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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)	2.13	6.84	-39.37	2	4	1	46	291.415	6	↓ MOL2 SDF SMILES Flexibase

62856366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,3-dimethyl-N-(2-phenoxyethyl)piperidine-3-carboxamide (3S)-N,3-dimethyl-N-(2-phenoxyet…

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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)	1.80	6.4	-33.74	2	4	1	46	277.388	5	↓ MOL2 SDF SMILES Flexibase

62856367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,3-dimethyl-N-(2-phenoxyethyl)piperidine-3-carboxamide (3R)-N,3-dimethyl-N-(2-phenoxyet…

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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)	1.80	6.33	-34.72	2	4	1	46	277.388	5	↓ MOL2 SDF SMILES Flexibase

62856428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[2-(4-chlorophenoxy)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)	2.48	6.92	-34.51	2	4	1	46	311.833	5	↓ MOL2 SDF SMILES Flexibase

62856429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[2-(4-chlorophenoxy)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)	2.48	6.84	-35.28	2	4	1	46	311.833	5	↓ MOL2 SDF SMILES Flexibase

62856430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-bromophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[2-(4-bromophenoxy)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)	2.61	7.03	-34.49	2	4	1	46	356.284	5	↓ MOL2 SDF SMILES Flexibase

62856431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(4-bromophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[2-(4-bromophenoxy)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)	2.61	6.94	-35.24	2	4	1	46	356.284	5	↓ MOL2 SDF SMILES Flexibase

62856560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[2-(4-fluorophenoxy)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)	1.96	6.46	-35.22	2	4	1	46	295.378	5	↓ MOL2 SDF SMILES Flexibase

62856561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[2-(4-fluorophenoxy)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)	1.96	6.39	-35.97	2	4	1	46	295.378	5	↓ MOL2 SDF SMILES Flexibase

62856562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[2-(3-chlorophenoxy)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)	2.45	6.92	-34.59	2	4	1	46	311.833	5	↓ MOL2 SDF SMILES Flexibase

62856563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[2-(3-chlorophenoxy)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)	2.45	6.85	-35.07	2	4	1	46	311.833	5	↓ MOL2 SDF SMILES Flexibase

62856564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide (3R)-N,3-dimethyl-N-[2-(4-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)	2.25	7.6	-33.56	2	4	1	46	291.415	5	↓ MOL2 SDF SMILES Flexibase

62856565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide (3S)-N,3-dimethyl-N-[2-(4-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)	2.25	7.54	-35.51	2	4	1	46	291.415	5	↓ MOL2 SDF SMILES Flexibase

62856566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2-chlorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[2-(2-chlorophenoxy)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)	2.43	6.96	-34.29	2	4	1	46	311.833	5	↓ MOL2 SDF SMILES Flexibase

62856567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2-chlorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[2-(2-chlorophenoxy)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)	2.43	6.88	-34.77	2	4	1	46	311.833	5	↓ MOL2 SDF SMILES Flexibase

62856568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[2-(2-fluorophenoxy)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)	1.91	6.48	-35.4	2	4	1	46	295.378	5	↓ MOL2 SDF SMILES Flexibase

62856569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[2-(2-fluorophenoxy)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)	1.91	6.39	-35.77	2	4	1	46	295.378	5	↓ MOL2 SDF SMILES Flexibase

62856570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-3-carboxamide (3R)-N,3-dimethyl-N-[2-(2-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	7.62	-34.31	2	4	1	46	291.415	5	↓ MOL2 SDF SMILES Flexibase

62856571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-3-carboxamide (3S)-N,3-dimethyl-N-[2-(2-methyl…

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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)	2.20	7.6	-35.48	2	4	1	46	291.415	5	↓ MOL2 SDF SMILES Flexibase

62857320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[2-(3-fluorophenoxy)ethyl…

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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)	1.94	6.47	-35.3	2	4	1	46	295.378	5	↓ MOL2 SDF SMILES Flexibase

62857321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[2-(3-fluorophenoxy)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)	1.94	6.39	-35.71	2	4	1	46	295.378	5	↓ MOL2 SDF SMILES Flexibase

62857322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide (3R)-N,3-dimethyl-N-[2-(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)	2.22	7.6	-33.77	2	4	1	46	291.415	5	↓ MOL2 SDF SMILES Flexibase

62857323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide (3S)-N,3-dimethyl-N-[2-(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)	2.22	7.54	-35.64	2	4	1	46	291.415	5	↓ MOL2 SDF SMILES Flexibase

62858864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1R)-1-methyl-2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(1R)-1-methyl-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)	2.66	6.31	-33.65	3	4	1	55	291.415	5	↓ MOL2 SDF SMILES Flexibase

62858865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[(1S)-1-methyl-2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide (3R)-3-methyl-N-[(1S)-1-methyl-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)	2.66	6.31	-34.15	3	4	1	55	291.415	5	↓ MOL2 SDF SMILES Flexibase

62858866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(1R)-1-methyl-2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide (3S)-3-methyl-N-[(1R)-1-methyl-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)	2.66	6.31	-34.16	3	4	1	55	291.415	5	↓ MOL2 SDF SMILES Flexibase

62858867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(1S)-1-methyl-2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide (3S)-3-methyl-N-[(1S)-1-methyl-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)	2.66	6.31	-33.66	3	4	1	55	291.415	5	↓ MOL2 SDF SMILES Flexibase

62860208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(2-phenoxyethyl)piperidine-3-carboxamide (3S)-3-ethyl-N-(2-phenoxyethyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	5.14	-35.88	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

62860209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(2-phenoxyethyl)piperidine-3-carboxamide (3R)-3-ethyl-N-(2-phenoxyethyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	5.19	-34.77	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

62860210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(2-phenoxyethyl)piperidine-3-carboxamide (3S)-3-methyl-N-(2-phenoxyethyl)…

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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)	1.88	4.75	-34.84	3	4	1	55	263.361	5	↓ MOL2 SDF SMILES Flexibase

62860211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-(2-phenoxyethyl)piperidine-3-carboxamide (3R)-3-methyl-N-(2-phenoxyethyl)…

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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)	1.88	4.75	-34.12	3	4	1	55	263.361	5	↓ MOL2 SDF SMILES Flexibase

62860212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-phenoxyethyl)-3-propyl-piperidine-3-carboxamide (3S)-N-(2-phenoxyethyl)-3-propyl…

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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)	2.78	5.9	-36.29	3	4	1	55	291.415	7	↓ MOL2 SDF SMILES Flexibase

62860213

Analogs

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Popular Name: (3R)-N-(2-phenoxyethyl)-3-propyl-piperidine-3-carboxamide (3R)-N-(2-phenoxyethyl)-3-propyl…

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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)	2.78	5.95	-35.11	3	4	1	55	291.415	7	↓ MOL2 SDF SMILES Flexibase

62860214

Analogs

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Popular Name: (3S)-3-ethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide (3S)-3-ethyl-N-[2-(3-methylpheno…

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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)	2.64	5.82	-35.94	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

62860215

Analogs

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Popular Name: (3R)-3-ethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide (3R)-3-ethyl-N-[2-(3-methylpheno…

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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)	2.64	5.86	-34.76	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

62860216

Analogs

41354188
41354190

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Popular Name: (3R)-3-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide (3R)-3-methyl-N-[2-(3-methylphen…

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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)	2.31	5.43	-34.21	3	4	1	55	277.388	5	↓ MOL2 SDF SMILES Flexibase

62860217

Analogs

41354188
41354190

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Popular Name: (3S)-3-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide (3S)-3-methyl-N-[2-(3-methylphen…

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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)	2.31	5.43	-34.94	3	4	1	55	277.388	5	↓ MOL2 SDF SMILES Flexibase

55073944

Analogs

37802494
37802495

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Popular Name: (3R)-N-ethyl-1-(2-hydroxyethyl)-N-[2-(2-methylphenoxy)ethyl]piperidine-3-carboxamide (3R)-N-ethyl-1-(2-hydroxyethyl)-…

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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)	2.29	7.92	-36.78	2	5	1	54	335.468	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.29	5.61	-12.01	1	5	0	53	334.46	8	↓ MOL2 SDF SMILES Flexibase

55073949

Analogs

37802494
37802495

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Popular Name: (3S)-N-ethyl-1-(2-hydroxyethyl)-N-[2-(2-methylphenoxy)ethyl]piperidine-3-carboxamide (3S)-N-ethyl-1-(2-hydroxyethyl)-…

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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)	2.29	7.74	-36.41	2	5	1	54	335.468	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.29	5.44	-11.57	1	5	0	53	334.46	8	↓ MOL2 SDF SMILES Flexibase

55422787

Analogs

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Popular Name: (3S)-1-propanoyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide (3S)-1-propanoyl-N-[2-[4-(triflu…

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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)	3.00	7.09	-12.79	1	5	0	59	372.387	7	↓ MOL2 SDF SMILES Flexibase

55422789

Analogs

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Popular Name: (3R)-1-propanoyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxamide (3R)-1-propanoyl-N-[2-[4-(triflu…

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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)	3.00	7.07	-12.56	1	5	0	59	372.387	7	↓ MOL2 SDF SMILES Flexibase

55526868

Analogs

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Popular Name: (3R)-1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]piperidine-3-carboxamide (3R)-1-acetyl-N-[2-(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)	2.09	6.56	-12.57	1	5	0	59	318.417	5	↓ MOL2 SDF SMILES Flexibase

55526869

Analogs

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Popular Name: (3S)-1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]piperidine-3-carboxamide (3S)-1-acetyl-N-[2-(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)	2.09	6.56	-12.97	1	5	0	59	318.417	5	↓ MOL2 SDF SMILES Flexibase

69875572

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)	1.37	5.03	-13.2	1	7	0	77	336.388	7	↓ MOL2 SDF SMILES Flexibase

69875575

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)	1.37	5.04	-13.24	1	7	0	77	336.388	7	↓ MOL2 SDF SMILES Flexibase

37816412

Analogs

32914639
32914640

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Popular Name: (3R)-N-[2-(3-fluorophenoxy)ethyl]-N-methyl-piperidine-3-carboxamide (3R)-N-[2-(3-fluorophenoxy)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)	1.69	6.7	-44.96	2	4	1	46	281.351	5	↓ MOL2 SDF SMILES Flexibase

37816413

Analogs

32914639
32914640

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(3-fluorophenoxy)ethyl]-N-methyl-piperidine-3-carboxamide (3S)-N-[2-(3-fluorophenoxy)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)	1.69	6.38	-43.82	2	4	1	46	281.351	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 32563 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
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