ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36153641

Analogs

36153643
36157482
36157486
36212360
36212361

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide N-[(1S)-2-oxo-2-(1-piperidyl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	6.83	-42.04	3	5	1	66	330.452	4	↓ MOL2 SDF SMILES Flexibase

36153643

Analogs

36212360
36212361
36212364
36212365
36212368

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide N-[(1R)-2-oxo-2-(1-piperidyl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.58	6.63	-45.78	3	5	1	66	330.452	4	↓ MOL2 SDF SMILES Flexibase

36153650

Analogs

36153653
36153656
36153659

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1R)-2-[(2R)-2-methyl-1-piper…

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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	7.2	-44.6	3	5	1	66	344.479	4	↓ MOL2 SDF SMILES Flexibase

36153653

Analogs

36153656
36153659
36153650

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1R)-2-[(2S)-2-methyl-1-piper…

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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	7.4	-41.88	3	5	1	66	344.479	4	↓ MOL2 SDF SMILES Flexibase

36153656

Analogs

36153659
36153650
36153653

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1S)-2-[(2R)-2-methyl-1-piper…

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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	7.4	-42.94	3	5	1	66	344.479	4	↓ MOL2 SDF SMILES Flexibase

36153659

Analogs

36153650
36153653
36153656

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1S)-2-[(2S)-2-methyl-1-piper…

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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	7.38	-43.48	3	5	1	66	344.479	4	↓ MOL2 SDF SMILES Flexibase

36153731

Analogs

36153734
36153737
36153740

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S)-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-1-(4-piperidyl)ethyl]benzamide 4-methyl-N-[(1S)-2-[(2S)-2-methy…

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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)	2.36	8.08	-43.4	3	5	1	66	358.506	4	↓ MOL2 SDF SMILES Flexibase

36153734

Analogs

36153737
36153740
36153731

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R)-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-1-(4-piperidyl)ethyl]benzamide 4-methyl-N-[(1R)-2-[(2S)-2-methy…

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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)	2.36	8.1	-41.84	3	5	1	66	358.506	4	↓ MOL2 SDF SMILES Flexibase

36153737

Analogs

36153740
36153731
36153734

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S)-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-1-(4-piperidyl)ethyl]benzamide 4-methyl-N-[(1S)-2-[(2R)-2-methy…

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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)	2.36	8.08	-42.82	3	5	1	66	358.506	4	↓ MOL2 SDF SMILES Flexibase

36153740

Analogs

36153731
36153734
36153737

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1R)-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-1-(4-piperidyl)ethyl]benzamide 4-methyl-N-[(1R)-2-[(2R)-2-methy…

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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)	2.36	7.89	-44.59	3	5	1	66	358.506	4	↓ MOL2 SDF SMILES Flexibase

36153800

Analogs

36153803
36208327
36208328
36208341
36208342

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 2-fluoro-N-[(1S)-2-oxo-2-(1-pipe…

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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	6.9	-43.89	3	5	1	66	348.442	4	↓ MOL2 SDF SMILES Flexibase

36153803

Analogs

36208327
36208328
36208341
36208342
35747816

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 2-fluoro-N-[(1R)-2-oxo-2-(1-pipe…

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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	6.71	-46.92	3	5	1	66	348.442	4	↓ MOL2 SDF SMILES Flexibase

36153826

Analogs

36153829
36208533
36208534
36208537
36208538

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 2-methyl-N-[(1S)-2-oxo-2-(1-pipe…

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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)	1.99	7.48	-41.52	3	5	1	66	344.479	4	↓ MOL2 SDF SMILES Flexibase

36153829

Analogs

36208533
36208534
36208543
36208544
36208545

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 2-methyl-N-[(1R)-2-oxo-2-(1-pipe…

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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)	1.99	7.31	-46.09	3	5	1	66	344.479	4	↓ MOL2 SDF SMILES Flexibase

36153833

Analogs

36153837
36208659
36208660
36208661
36208662

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 4-fluoro-N-[(1S)-2-oxo-2-(1-pipe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.75	6.9	-43.43	3	5	1	66	348.442	4	↓ MOL2 SDF SMILES Flexibase

36153837

Analogs

36208659
36208660
36208661
36208662
36208663

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 4-fluoro-N-[(1R)-2-oxo-2-(1-pipe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.75	6.7	-46.75	3	5	1	66	348.442	4	↓ MOL2 SDF SMILES Flexibase

36153900

Analogs

36153902
36209759
36209761
36209767
36209768

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 2-chloro-N-[(1S)-2-oxo-2-(1-pipe…

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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)	2.21	7.34	-42.4	3	5	1	66	364.897	4	↓ MOL2 SDF SMILES Flexibase

36153902

Analogs

36209759
36209761
36209767
36209768
36209775

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 2-chloro-N-[(1R)-2-oxo-2-(1-pipe…

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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)	2.21	7.15	-45.69	3	5	1	66	364.897	4	↓ MOL2 SDF SMILES Flexibase

36153922

Analogs

36153925
36210112
36210113
36210114
36210115

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 4-methoxy-N-[(1S)-2-oxo-2-(1-pip…

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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)	1.64	6.14	-43.19	3	6	1	75	360.478	5	↓ MOL2 SDF SMILES Flexibase

36153925

Analogs

36210112
36210113
36210114
36210120
36210121

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 4-methoxy-N-[(1R)-2-oxo-2-(1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	5.95	-46.99	3	6	1	75	360.478	5	↓ MOL2 SDF SMILES Flexibase

36154023

Analogs

36154026
36210880
36210881
36210882
36210883

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 3-methoxy-N-[(1S)-2-oxo-2-(1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	6.13	-43.82	3	6	1	75	360.478	5	↓ MOL2 SDF SMILES Flexibase

36154026

Analogs

36210880
36210881
36210882
36210883
36210888

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 3-methoxy-N-[(1R)-2-oxo-2-(1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	5.93	-47.2	3	6	1	75	360.478	5	↓ MOL2 SDF SMILES Flexibase

36154152

Analogs

36154155
36211745
36211746
36211749
36211750

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 3-methyl-N-[(1S)-2-oxo-2-(1-pipe…

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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)	2.01	7.49	-42.02	3	5	1	66	344.479	4	↓ MOL2 SDF SMILES Flexibase

36154155

Analogs

36211745
36211746
36211749
36211755
36211756

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(4-piperidyl)ethyl]benzamide 3-methyl-N-[(1R)-2-oxo-2-(1-pipe…

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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)	2.01	7.3	-45.71	3	5	1	66	344.479	4	↓ MOL2 SDF SMILES Flexibase

36210112

Analogs

36210113
36210114
36210120
36210121
36210122

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-acetyl-4-piperidyl)-2-oxo-2-(1-piperidyl)ethyl]-4-methoxy-benzamide N-[(1S)-1-(1-acetyl-4-piperidyl)…

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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	7.52	-17.61	1	7	0	79	401.507	5	↓ MOL2 SDF SMILES Flexibase

36210113

Analogs

36210114
36210120
36210121
36210122
36210123

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-acetyl-4-piperidyl)-2-oxo-2-(1-piperidyl)ethyl]-4-methoxy-benzamide N-[(1R)-1-(1-acetyl-4-piperidyl)…

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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	7.58	-19.87	1	7	0	79	401.507	5	↓ MOL2 SDF SMILES Flexibase

36210114

Analogs

36210115
36210120
36210121
36210122
36210123

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 4-methoxy-N-[(1S)-1-[1-(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)	2.68	8.83	-19	1	7	0	79	429.561	6	↓ MOL2 SDF SMILES Flexibase

36210115

Analogs

36210120
36210121
36210122
36210123
36210148

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1R)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 4-methoxy-N-[(1R)-1-[1-(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)	2.68	8.98	-18.34	1	7	0	79	429.561	6	↓ MOL2 SDF SMILES Flexibase

36210120

Analogs

36210121
36210122
36210123
36210152
36210153

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1S)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 4-methoxy-N-[(1S)-1-[1-(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)	3.21	9.66	-18.74	1	7	0	79	443.588	7	↓ MOL2 SDF SMILES Flexibase

36210121

Analogs

36210122
36210123
36210152
36210153
35748462

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 4-methoxy-N-[(1R)-1-[1-(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)	3.21	9.81	-17.93	1	7	0	79	443.588	7	↓ MOL2 SDF SMILES Flexibase

36210122

Analogs

36210123
36210152
36210153
35748462
35748464

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(1-propanoyl-4-piperidyl)ethyl]benzamide 4-methoxy-N-[(1S)-2-oxo-2-(1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	8.29	-19.53	1	7	0	79	415.534	6	↓ MOL2 SDF SMILES Flexibase

36210123

Analogs

36153922
36153925
36210112
36210113
36210114

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(1-propanoyl-4-piperidyl)ethyl]benzamide 4-methoxy-N-[(1R)-2-oxo-2-(1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	8.44	-18.74	1	7	0	79	415.534	6	↓ MOL2 SDF SMILES Flexibase

36210136

Analogs

36210137
36210168
36210169

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1S)-1-[1-(2-methoxyacetyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 4-methoxy-N-[(1S)-1-[1-(2-methox…

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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	7.67	-22.7	1	8	0	88	431.533	7	↓ MOL2 SDF SMILES Flexibase

36210137

Analogs

36210168
36210169
36210136

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[(1R)-1-[1-(2-methoxyacetyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 4-methoxy-N-[(1R)-1-[1-(2-methox…

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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	7.82	-21.8	1	8	0	88	431.533	7	↓ MOL2 SDF SMILES Flexibase

36210876

Analogs

36210877
36210882
36210883
36210888
36210889

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methoxy-N-[(1S)-1-[1-(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)	2.66	8.81	-20.61	1	7	0	79	429.561	6	↓ MOL2 SDF SMILES Flexibase

36210877

Analogs

36210882
36210883
36210888
36210889
36210914

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1R)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methoxy-N-[(1R)-1-[1-(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)	2.66	8.96	-20.64	1	7	0	79	429.561	6	↓ MOL2 SDF SMILES Flexibase

36210880

Analogs

36210881
36210882
36210883
36210888
36210889

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1S)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methoxy-N-[(1S)-1-[1-(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)	3.19	9.64	-20.34	1	7	0	79	443.588	7	↓ MOL2 SDF SMILES Flexibase

36210881

Analogs

36210882
36210883
36210888
36210889
36210920

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1R)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methoxy-N-[(1R)-1-[1-(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)	3.19	9.79	-20.24	1	7	0	79	443.588	7	↓ MOL2 SDF SMILES Flexibase

36210882

Analogs

36210883
36210888
36210889
36210920
36210921

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1S)-2-oxo-2-(1-piperidyl)-1-(1-propanoyl-4-piperidyl)ethyl]benzamide 3-methoxy-N-[(1S)-2-oxo-2-(1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	8.27	-21.14	1	7	0	79	415.534	6	↓ MOL2 SDF SMILES Flexibase

36210883

Analogs

36210888
36210889
36211093
36154023
36154026

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1R)-2-oxo-2-(1-piperidyl)-1-(1-propanoyl-4-piperidyl)ethyl]benzamide 3-methoxy-N-[(1R)-2-oxo-2-(1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	8.42	-21.04	1	7	0	79	415.534	6	↓ MOL2 SDF SMILES Flexibase

36210888

Analogs

36210889
36211093
36154023
36154026
36210876

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]-3-methoxy-benzamide N-[(1S)-1-[1-(3,3-dimethylbutano…

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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)	3.51	10.16	-19.39	1	7	0	79	457.615	7	↓ MOL2 SDF SMILES Flexibase

36210889

Analogs

36211093
36154023
36154026
36210876
36210877

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]-3-methoxy-benzamide N-[(1R)-1-[1-(3,3-dimethylbutano…

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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)	3.51	10.31	-19.32	1	7	0	79	457.615	7	↓ MOL2 SDF SMILES Flexibase

36210900

Analogs

36210901
36210942
36210943
36210984
36210985

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1S)-1-[1-(2-methoxyacetyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methoxy-N-[(1S)-1-[1-(2-methox…

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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)	1.52	7.66	-24.23	1	8	0	88	431.533	7	↓ MOL2 SDF SMILES Flexibase

36210901

Analogs

36210942
36210943
36210984
36210985
36211137

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[(1R)-1-[1-(2-methoxyacetyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methoxy-N-[(1R)-1-[1-(2-methox…

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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)	1.52	7.81	-24.16	1	8	0	88	431.533	7	↓ MOL2 SDF SMILES Flexibase

36211745

Analogs

36211746
36211749
36211755
36211756
36211757

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-acetyl-4-piperidyl)-2-oxo-2-(1-piperidyl)ethyl]-3-methyl-benzamide N-[(1S)-1-(1-acetyl-4-piperidyl)…

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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	8.82	-19.5	1	6	0	70	385.508	4	↓ MOL2 SDF SMILES Flexibase

36211746

Analogs

36211749
36211755
36211756
36211757
36211758

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-acetyl-4-piperidyl)-2-oxo-2-(1-piperidyl)ethyl]-3-methyl-benzamide N-[(1R)-1-(1-acetyl-4-piperidyl)…

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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	8.97	-18.89	1	6	0	70	385.508	4	↓ MOL2 SDF SMILES Flexibase

36211749

Analogs

36211750
36211755
36211756
36211757
36211758

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1S)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methyl-N-[(1S)-1-[1-(2-methylp…

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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)	3.05	10.07	-16.96	1	6	0	70	413.562	5	↓ MOL2 SDF SMILES Flexibase

36211750

Analogs

36211755
36211756
36211757
36211758
36211769

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1R)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methyl-N-[(1R)-1-[1-(2-methylp…

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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)	3.05	10.19	-19.11	1	6	0	70	413.562	5	↓ MOL2 SDF SMILES Flexibase

36211755

Analogs

36211756
36211757
36211758
36211774
36211776

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1S)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methyl-N-[(1S)-1-[1-(3-methylb…

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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)	3.58	11.01	-18.36	1	6	0	70	427.589	6	↓ MOL2 SDF SMILES Flexibase

36211756

Analogs

36211757
36211758
36154152
36154155
36211745

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[(1R)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-2-(1-piperidyl)ethyl]benzamide 3-methyl-N-[(1R)-1-[1-(3-methylb…

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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)	3.58	11.16	-17.8	1	6	0	70	427.589	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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