ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36213627

Analogs

36213630
36213632
36213635
36213677
36213680

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-benzamido-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamide 4-[(1R)-1-benzamido-2-[[(1R)-1-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)	4.03	10.46	-19.43	3	7	0	91	450.583	7	↓ MOL2 SDF SMILES Flexibase

36213630

Analogs

36213632
36213635
36213677
36213680
36213682

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-benzamido-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamide 4-[(1R)-1-benzamido-2-[[(1S)-1-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)	4.03	10.32	-21.52	3	7	0	91	450.583	7	↓ MOL2 SDF SMILES Flexibase

36213632

Analogs

36213635
36213677
36213680
36213682
36213685

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-benzamido-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamide 4-[(1S)-1-benzamido-2-[[(1R)-1-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)	4.03	10.78	-20.01	3	7	0	91	450.583	7	↓ MOL2 SDF SMILES Flexibase

36213635

Analogs

36213677
36213680
36213682
36213685
36213627

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-benzamido-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamide 4-[(1S)-1-benzamido-2-[[(1S)-1-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)	4.03	10.34	-21.58	3	7	0	91	450.583	7	↓ MOL2 SDF SMILES Flexibase

36213642

Analogs

36213644

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(allylamino)-1-benzamido-2-oxo-ethyl]-N-(3-chlorophenyl)piperidine-1-carboxamide 4-[(1R)-2-(allylamino)-1-benzami…

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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)	3.67	9.2	-18.36	3	7	0	91	454.958	7	↓ MOL2 SDF SMILES Flexibase

36213644

Analogs

36213642

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(allylamino)-1-benzamido-2-oxo-ethyl]-N-(3-chlorophenyl)piperidine-1-carboxamide 4-[(1S)-2-(allylamino)-1-benzami…

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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)	3.67	8.97	-19.97	3	7	0	91	454.958	7	↓ MOL2 SDF SMILES Flexibase

36213677

Analogs

36213680
36213682
36213685
36213627
36213630

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-benzamido-2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxam 4-[(1S)-1-benzamido-2-[[(1S)-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)	4.28	10.58	-19.34	3	7	0	91	464.61	7	↓ MOL2 SDF SMILES Flexibase

36213680

Analogs

36213682
36213685
36213627
36213630
36213632

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-benzamido-2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxam 4-[(1R)-1-benzamido-2-[[(1S)-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)	4.28	10.62	-18.93	3	7	0	91	464.61	7	↓ MOL2 SDF SMILES Flexibase

36213682

Analogs

36213685
36213627
36213630
36213632
36213635

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-benzamido-2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxam 4-[(1S)-1-benzamido-2-[[(1R)-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)	4.28	10.96	-21.04	3	7	0	91	464.61	7	↓ MOL2 SDF SMILES Flexibase

36213685

Analogs

36213627
36213630
36213632
36213635
36213677

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-benzamido-2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxam 4-[(1R)-1-benzamido-2-[[(1R)-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)	4.28	10.92	-21.18	3	7	0	91	464.61	7	↓ MOL2 SDF SMILES Flexibase

36213719

Analogs

36213721

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(isobutylamino)-1-[(4-methylbenzoyl)amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamid 4-[(1S)-2-(isobutylamino)-1-[(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)	4.39	10.76	-21.33	3	7	0	91	464.61	7	↓ MOL2 SDF SMILES Flexibase

36213721

Analogs

36213719

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(isobutylamino)-1-[(4-methylbenzoyl)amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamid 4-[(1R)-2-(isobutylamino)-1-[(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)	4.39	10.74	-21.21	3	7	0	91	464.61	7	↓ MOL2 SDF SMILES Flexibase

36213724

Analogs

36213725
35749448
35749450

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1S)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxo-ethyl]piperidine N-(3-chlorophenyl)-4-[(1S)-2-(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)	3.46	8.18	-19.79	3	8	0	100	487	8	↓ MOL2 SDF SMILES Flexibase

36213725

Analogs

35749448
35749450
36213724

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxo-ethyl]piperidine N-(3-chlorophenyl)-4-[(1R)-2-(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)	3.46	8.12	-19.23	3	8	0	100	487	8	↓ MOL2 SDF SMILES Flexibase

36213726

Analogs

36213727

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carb 4-[(1S)-2-(2-methoxyethylamino)-…

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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)	3.26	8.27	-18.49	3	8	0	100	466.582	8	↓ MOL2 SDF SMILES Flexibase

36213727

Analogs

36213726

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carb 4-[(1R)-2-(2-methoxyethylamino)-…

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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)	3.26	8.28	-20.55	3	8	0	100	466.582	8	↓ MOL2 SDF SMILES Flexibase

36213782

Analogs

36213784
36213786
36213788

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-fluorobenzoyl)amino]-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine 4-[(1R)-1-[(2-fluorobenzoyl)amin…

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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)	4.15	10.53	-23.17	3	7	0	91	468.573	7	↓ MOL2 SDF SMILES Flexibase

36213784

Analogs

36213786
36213788
36213782

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-fluorobenzoyl)amino]-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine 4-[(1R)-1-[(2-fluorobenzoyl)amin…

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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)	4.15	10.62	-23.27	3	7	0	91	468.573	7	↓ MOL2 SDF SMILES Flexibase

36213786

Analogs

36213788
36213782
36213784

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-fluorobenzoyl)amino]-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine 4-[(1S)-1-[(2-fluorobenzoyl)amin…

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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)	4.15	10.85	-24.01	3	7	0	91	468.573	7	↓ MOL2 SDF SMILES Flexibase

36213788

Analogs

36213782
36213784
36213786

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-fluorobenzoyl)amino]-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine 4-[(1S)-1-[(2-fluorobenzoyl)amin…

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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)	4.15	10.42	-24.74	3	7	0	91	468.573	7	↓ MOL2 SDF SMILES Flexibase

36213794

Analogs

36213796

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1R)-1-[(2-fluorobenzoyl)amino]-2-(3-methoxypropylamino)-2-oxo-ethyl]piperidin N-(3-chlorophenyl)-4-[(1R)-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)	3.40	8.29	-21.72	3	8	0	100	504.99	9	↓ MOL2 SDF SMILES Flexibase

36213796

Analogs

36213794

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1S)-1-[(2-fluorobenzoyl)amino]-2-(3-methoxypropylamino)-2-oxo-ethyl]piperidin N-(3-chlorophenyl)-4-[(1S)-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)	3.40	8.28	-22.45	3	8	0	100	504.99	9	↓ MOL2 SDF SMILES Flexibase

36213798

Analogs

36213800

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-fluorobenzoyl)amino]-2-(3-methoxypropylamino)-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-car 4-[(1S)-1-[(2-fluorobenzoyl)amin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	8.46	-23.8	3	8	0	100	484.572	9	↓ MOL2 SDF SMILES Flexibase

36213800

Analogs

36213798

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-fluorobenzoyl)amino]-2-(3-methoxypropylamino)-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-car 4-[(1R)-1-[(2-fluorobenzoyl)amin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	8.48	-22.66	3	8	0	100	484.572	9	↓ MOL2 SDF SMILES Flexibase

36213818

Analogs

36213820
35749561
35749563

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1S)-2-(isobutylamino)-1-[(2-methylbenzoyl)amino]-2-oxo-ethyl]piperidine-1-car N-(3-chlorophenyl)-4-[(1S)-2-(is…

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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)	4.55	10.64	-19.21	3	7	0	91	485.028	7	↓ MOL2 SDF SMILES Flexibase

36213820

Analogs

35749561
35749563
36213818

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1R)-2-(isobutylamino)-1-[(2-methylbenzoyl)amino]-2-oxo-ethyl]piperidine-1-car N-(3-chlorophenyl)-4-[(1R)-2-(is…

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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)	4.55	10.65	-19.26	3	7	0	91	485.028	7	↓ MOL2 SDF SMILES Flexibase

36213822

Analogs

36213824

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1S)-2-(2-methoxyethylamino)-1-[(2-methylbenzoyl)amino]-2-oxo-ethyl]piperidine N-(3-chlorophenyl)-4-[(1S)-2-(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)	3.41	8.04	-17.85	3	8	0	100	487	8	↓ MOL2 SDF SMILES Flexibase

36213824

Analogs

36213822

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-1-[(2-methylbenzoyl)amino]-2-oxo-ethyl]piperidine N-(3-chlorophenyl)-4-[(1R)-2-(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)	3.41	8.09	-19.21	3	8	0	100	487	8	↓ MOL2 SDF SMILES Flexibase

36213943

Analogs

36213946

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-chlorobenzoyl)amino]-2-(isobutylamino)-2-oxo-ethyl]-N-(3-chlorophenyl)piperidine-1-car 4-[(1R)-1-[(2-chlorobenzoyl)amin…

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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)	4.78	10.66	-19.4	3	7	0	91	505.446	7	↓ MOL2 SDF SMILES Flexibase

36213946

Analogs

36213943

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-(isobutylamino)-2-oxo-ethyl]-N-(3-chlorophenyl)piperidine-1-car 4-[(1S)-1-[(2-chlorobenzoyl)amin…

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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)	4.78	10.89	-19.99	3	7	0	91	505.446	7	↓ MOL2 SDF SMILES Flexibase

36213949

Analogs

36213952

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-(isobutylamino)-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamid 4-[(1S)-1-[(2-chlorobenzoyl)amin…

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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)	4.58	10.57	-20.16	3	7	0	91	485.028	7	↓ MOL2 SDF SMILES Flexibase

36213952

Analogs

36213949

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-chlorobenzoyl)amino]-2-(isobutylamino)-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamid 4-[(1R)-1-[(2-chlorobenzoyl)amin…

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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)	4.58	10.61	-19.97	3	7	0	91	485.028	7	↓ MOL2 SDF SMILES Flexibase

36213961

Analogs

36213963

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-chlorobenzoyl)amino]-2-(2-methoxyethylamino)-2-oxo-ethyl]-N-(3-chlorophenyl)piperidine 4-[(1R)-1-[(2-chlorobenzoyl)amin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	7.97	-20.24	3	8	0	100	507.418	8	↓ MOL2 SDF SMILES Flexibase

36213963

Analogs

36213961

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-(2-methoxyethylamino)-2-oxo-ethyl]-N-(3-chlorophenyl)piperidine 4-[(1S)-1-[(2-chlorobenzoyl)amin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	7.98	-19.35	3	8	0	100	507.418	8	↓ MOL2 SDF SMILES Flexibase

36213978

Analogs

36213982
36213985
36213988

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-chlorobenzoyl)amino]-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(3-chlorophenyl)pip 4-[(1R)-1-[(2-chlorobenzoyl)amin…

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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)	4.87	10.82	-19.49	3	7	0	91	505.446	7	↓ MOL2 SDF SMILES Flexibase

36213982

Analogs

36213985
36213988
36213978

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-chlorobenzoyl)amino]-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(3-chlorophenyl)pip 4-[(1R)-1-[(2-chlorobenzoyl)amin…

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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)	4.87	10.91	-19.57	3	7	0	91	505.446	7	↓ MOL2 SDF SMILES Flexibase

36213985

Analogs

36213988
36213978
36213982

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(3-chlorophenyl)pip 4-[(1S)-1-[(2-chlorobenzoyl)amin…

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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)	4.87	10.7	-21.15	3	7	0	91	505.446	7	↓ MOL2 SDF SMILES Flexibase

36213988

Analogs

36213978
36213982
36213985

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(3-chlorophenyl)pip 4-[(1S)-1-[(2-chlorobenzoyl)amin…

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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)	4.87	10.7	-21.1	3	7	0	91	505.446	7	↓ MOL2 SDF SMILES Flexibase

36213991

Analogs

36213993
36213996
36213998

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-chlorobenzoyl)amino]-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine 4-[(1R)-1-[(2-chlorobenzoyl)amin…

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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)	4.66	10.97	-20.72	3	7	0	91	485.028	7	↓ MOL2 SDF SMILES Flexibase

36213993

Analogs

36213996
36213998
36213991

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[(2-chlorobenzoyl)amino]-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine 4-[(1R)-1-[(2-chlorobenzoyl)amin…

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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)	4.66	11.06	-20.74	3	7	0	91	485.028	7	↓ MOL2 SDF SMILES Flexibase

36213996

Analogs

36213998
36213991
36213993

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine 4-[(1S)-1-[(2-chlorobenzoyl)amin…

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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)	4.66	11.29	-21.43	3	7	0	91	485.028	7	↓ MOL2 SDF SMILES Flexibase

36213998

Analogs

36213991
36213993
36213996

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine 4-[(1S)-1-[(2-chlorobenzoyl)amin…

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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)	4.66	10.85	-22.32	3	7	0	91	485.028	7	↓ MOL2 SDF SMILES Flexibase

36214034

Analogs

36214037

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]piperidine-1-car N-(3-chlorophenyl)-4-[(1R)-2-(di…

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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)	4.08	10.17	-16.28	2	8	0	91	501.027	8	↓ MOL2 SDF SMILES Flexibase

36214037

Analogs

36214034

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1S)-2-(diethylamino)-1-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]piperidine-1-car N-(3-chlorophenyl)-4-[(1S)-2-(di…

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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)	4.08	10.47	-20.27	2	8	0	91	501.027	8	↓ MOL2 SDF SMILES Flexibase

36214040

Analogs

36214047

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(diethylamino)-1-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamid 4-[(1R)-2-(diethylamino)-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)	3.88	10.28	-17.73	2	8	0	91	480.609	8	↓ MOL2 SDF SMILES Flexibase

36214047

Analogs

36214040

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(diethylamino)-1-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxamid 4-[(1S)-2-(diethylamino)-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)	3.88	11.35	-26.01	2	8	0	91	480.609	8	↓ MOL2 SDF SMILES Flexibase

36214063

Analogs

36214067

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1R)-2-(isobutylamino)-1-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]piperidine-1-ca N-(3-chlorophenyl)-4-[(1R)-2-(is…

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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)	4.21	9.46	-18.32	3	8	0	100	501.027	8	↓ MOL2 SDF SMILES Flexibase

36214067

Analogs

36214063

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-4-[(1S)-2-(isobutylamino)-1-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]piperidine-1-ca N-(3-chlorophenyl)-4-[(1S)-2-(is…

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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)	4.21	9.24	-20.53	3	8	0	100	501.027	8	↓ MOL2 SDF SMILES Flexibase

36214070

Analogs

36214073

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(isobutylamino)-1-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxami 4-[(1S)-2-(isobutylamino)-1-[(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)	4.00	9.47	-21.36	3	8	0	100	480.609	8	↓ MOL2 SDF SMILES Flexibase

36214073

Analogs

36214070

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(isobutylamino)-1-[(4-methoxybenzoyl)amino]-2-oxo-ethyl]-N-(p-tolyl)piperidine-1-carboxami 4-[(1R)-2-(isobutylamino)-1-[(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)	4.00	9.45	-21.41	3	8	0	100	480.609	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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