ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

52943433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-methyl-N-(4-piperidylmethyl)benzamide 2-methoxy-5-methyl-N-(4-piperidy…

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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)	2.32	5.86	-50.24	3	4	1	55	263.361	4	↓ MOL2 SDF SMILES Flexibase

52943444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-methyl-N-[(1S)-1-(4-piperidyl)ethyl]benzamide 2-methoxy-5-methyl-N-[(1S)-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)	2.65	6.36	-52.05	3	4	1	55	277.388	4	↓ MOL2 SDF SMILES Flexibase

52943445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-methyl-N-[(1R)-1-(4-piperidyl)ethyl]benzamide 2-methoxy-5-methyl-N-[(1R)-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)	2.65	6.63	-49.87	3	4	1	55	277.388	4	↓ MOL2 SDF SMILES Flexibase

36143446

Analogs

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Popular Name: 4-[[(2,4-dichlorobenzoyl)amino]methyl]-N,N-dimethyl-1-propylsulfonyl-piperidine-4-carboxamide 4-[[(2,4-dichlorobenzoyl)amino]m…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A9-1-E	Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	181	0.33	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A9_HUMAN	P48067	Glycine Transporter 1, Human	181	0.33	Binding ≤ 1μM
SC6A9_HUMAN	P48067	Glycine Transporter 1, Human	181	0.33	Binding ≤ 10μM

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	5.57	-18.35	1	7	0	87	464.415	7	↓ MOL2 SDF SMILES Flexibase

36143454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2,4-dichlorobenzoyl)amino]methyl]-N-ethyl-1-propylsulfonyl-piperidine-4-carboxamide 4-[[(2,4-dichlorobenzoyl)amino]m…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A9-1-E	Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	517	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SC6A9_HUMAN	P48067	Glycine Transporter 1, Human	517	0.30	Binding ≤ 1μM
SC6A9_HUMAN	P48067	Glycine Transporter 1, Human	517	0.30	Binding ≤ 10μM

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)	2.98	4.96	-17.9	2	7	0	96	464.415	8	↓ MOL2 SDF SMILES Flexibase

36148021

Analogs

36148023
36148026
36148028
36148035
36148037

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-acetyl-4-piperidyl)-2-oxo-2-(propylamino)ethyl]-4-fluoro-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)	1.43	6.09	-18.94	2	6	0	79	363.433	6	↓ MOL2 SDF SMILES Flexibase

36148023

Analogs

36148026
36148028
36148035
36148037
36153840

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-acetyl-4-piperidyl)-2-oxo-2-(propylamino)ethyl]-4-fluoro-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)	1.43	6.11	-19.62	2	6	0	79	363.433	6	↓ MOL2 SDF SMILES Flexibase

36148026

Analogs

36148028
36148035
36148037
36158068
36158071

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1R)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]benzamide 4-fluoro-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)	2.51	7.38	-18.47	2	6	0	79	391.487	7	↓ MOL2 SDF SMILES Flexibase

36148028

Analogs

36148035
36158068
36158071
36158090
36158094

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1S)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]benzamide 4-fluoro-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)	2.51	7.4	-19.11	2	6	0	79	391.487	7	↓ MOL2 SDF SMILES Flexibase

36148035

Analogs

36148037
36153840
36153844
36158068
36158071

Draw Identity 99% 90% 80% 70%

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

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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)	2.27	6.92	-19.2	2	6	0	79	377.46	7	↓ MOL2 SDF SMILES Flexibase

36148037

Analogs

36158068
36158071
36158090
36158094
36148021

Draw Identity 99% 90% 80% 70%

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

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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)	2.27	6.94	-19.36	2	6	0	79	377.46	7	↓ MOL2 SDF SMILES Flexibase

36148074

Analogs

36148076
36148096
36148098
36148100
36148102

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-acetyl-4-piperidyl)-2-(diethylamino)-2-oxo-ethyl]-4-fluoro-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)	1.55	7.68	-14.91	1	6	0	70	377.46	6	↓ MOL2 SDF SMILES Flexibase

36148076

Analogs

36148096
36148098
36148100
36148102
36148114

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-acetyl-4-piperidyl)-2-(diethylamino)-2-oxo-ethyl]-4-fluoro-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)	1.55	8.54	-25.68	1	6	0	70	377.46	6	↓ MOL2 SDF SMILES Flexibase

36148084

Analogs

36148086
36148096
36148098
36148100
36148102

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-ethyl]-4-fluoro-benzamide N-[(1R)-2-(diethylamino)-1-[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)	2.63	8.97	-14.48	1	6	0	70	405.514	7	↓ MOL2 SDF SMILES Flexibase

36148086

Analogs

36148096
36148098
36148100
36148102
36148114

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-ethyl]-4-fluoro-benzamide N-[(1S)-2-(diethylamino)-1-[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)	2.63	10.02	-24.36	1	6	0	70	405.514	7	↓ MOL2 SDF SMILES Flexibase

36148096

Analogs

36148098
36148100
36148102
36148114
36148116

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-ethyl]-4-fluoro-benzamide N-[(1R)-2-(diethylamino)-1-[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)	3.16	9.99	-15.12	1	6	0	70	419.541	8	↓ MOL2 SDF SMILES Flexibase

36148098

Analogs

36148100
36148102
36148114
36148116
36153833

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-ethyl]-4-fluoro-benzamide N-[(1S)-2-(diethylamino)-1-[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)	3.16	10.95	-23.59	1	6	0	70	419.541	8	↓ MOL2 SDF SMILES Flexibase

36148100

Analogs

36148102
36148114
36148116
36153833
36153837

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-2-oxo-1-(1-propanoyl-4-piperidyl)ethyl]-4-fluoro-benzamide N-[(1S)-2-(diethylamino)-2-oxo-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)	2.39	8.59	-16.06	1	6	0	70	391.487	7	↓ MOL2 SDF SMILES Flexibase

36148102

Analogs

36148114
36148116
36153833
36153837
36208661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoyl-4-piperidyl)ethyl]-4-fluoro-benzamide N-[(1R)-2-(diethylamino)-2-oxo-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)	2.39	9.57	-24.45	1	6	0	70	391.487	7	↓ MOL2 SDF SMILES Flexibase

36148114

Analogs

36148116
36153833
36153837
36208661
36148074

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2-oxo-ethyl]-4-fluoro-benzamide N-[(1R)-2-(diethylamino)-1-[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)	3.48	10.51	-14.15	1	6	0	70	433.568	8	↓ MOL2 SDF SMILES Flexibase

36148116

Analogs

36153833
36153837
36208661
36148074
36148076

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2-oxo-ethyl]-4-fluoro-benzamide N-[(1S)-2-(diethylamino)-1-[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)	3.48	11.47	-22.48	1	6	0	70	433.568	8	↓ MOL2 SDF SMILES Flexibase

36148168

Analogs

36148170
36148172
36148174
36158439
36158442

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1R)-1-[(4-fluorobenzoyl)amino]-2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide N-tert-butyl-4-[(1R)-1-[(4-fluor…

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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	7.37	-17.37	3	7	0	91	420.529	7	↓ MOL2 SDF SMILES Flexibase

36148170

Analogs

36148172
36148174
36158439
36158442
35744313

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1S)-1-[(4-fluorobenzoyl)amino]-2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide N-tert-butyl-4-[(1S)-1-[(4-fluor…

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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	7.09	-18.72	3	7	0	91	420.529	7	↓ MOL2 SDF SMILES Flexibase

36148172

Analogs

36148174
36158439
36158442
35744313
35744315

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[(1R)-1-[(4-fluorobenzoyl)amino]-2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide N-ethyl-4-[(1R)-1-[(4-fluorobenz…

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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)	2.65	5.88	-19.66	3	7	0	91	392.475	7	↓ MOL2 SDF SMILES Flexibase

36148174

Analogs

36158439
36158442
35744313
35744315
36148168

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[(1S)-1-[(4-fluorobenzoyl)amino]-2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide N-ethyl-4-[(1S)-1-[(4-fluorobenz…

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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)	2.65	5.9	-19.8	3	7	0	91	392.475	7	↓ MOL2 SDF SMILES Flexibase

36148177

Analogs

36148179
36148182
36148184
36148186
36148189

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1R)-2-(diethylamino)-1-[(4-fluorobenzoyl)amino]-2-oxo-ethyl]piperidine-1-carboxamid N-tert-butyl-4-[(1R)-2-(diethyla…

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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	8.71	-15.4	2	7	0	82	434.556	7	↓ MOL2 SDF SMILES Flexibase

36148179

Analogs

36148182
36148184
36148186
36148189
36148177

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1S)-2-(diethylamino)-1-[(4-fluorobenzoyl)amino]-2-oxo-ethyl]piperidine-1-carboxamid N-tert-butyl-4-[(1S)-2-(diethyla…

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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	9.1	-18.01	2	7	0	82	434.556	7	↓ MOL2 SDF SMILES Flexibase

36148182

Analogs

36148184
36148186
36148189
36148177
36148179

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(diethylamino)-1-[(4-fluorobenzoyl)amino]-2-oxo-ethyl]-N-ethyl-piperidine-1-carboxamide 4-[(1S)-2-(diethylamino)-1-[(4-f…

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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)	2.77	7.55	-15.71	2	7	0	82	406.502	7	↓ MOL2 SDF SMILES Flexibase

36148184

Analogs

36148186
36148189
36148177
36148179
36148182

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(diethylamino)-1-[(4-fluorobenzoyl)amino]-2-oxo-ethyl]-N-ethyl-piperidine-1-carboxamide 4-[(1R)-2-(diethylamino)-1-[(4-f…

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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)	2.77	8.34	-26.2	2	7	0	82	406.502	7	↓ MOL2 SDF SMILES Flexibase

36148186

Analogs

36148189
36148177
36148179
36148182
36148184

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Popular Name: 4-[(1R)-2-(diethylamino)-1-[(4-fluorobenzoyl)amino]-2-oxo-ethyl]-N-isopropyl-piperidine-1-carboxamid 4-[(1R)-2-(diethylamino)-1-[(4-f…

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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)	3.06	8.32	-16.18	2	7	0	82	420.529	7	↓ MOL2 SDF SMILES Flexibase

36148189

Analogs

36148177
36148179
36148182
36148184
36148186

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Popular Name: 4-[(1S)-2-(diethylamino)-1-[(4-fluorobenzoyl)amino]-2-oxo-ethyl]-N-isopropyl-piperidine-1-carboxamid 4-[(1S)-2-(diethylamino)-1-[(4-f…

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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)	3.06	8.73	-18.91	2	7	0	82	420.529	7	↓ MOL2 SDF SMILES Flexibase

36148195

Analogs

36148197

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

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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)	2.76	9.7	-18.37	2	6	0	65	422.57	9	↓ MOL2 SDF SMILES Flexibase

36148197

Analogs

36148195

Draw Identity 99% 90% 80% 70%

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

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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)	2.76	10.51	-30.01	2	6	0	65	422.57	9	↓ MOL2 SDF SMILES Flexibase

36153645

Analogs

36153647
36157455
36157458
36157482
36157486

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1R)-2-(diethylamino)-2-oxo-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)	1.43	6.14	-41.95	3	5	1	66	318.441	6	↓ MOL2 SDF SMILES Flexibase

36153647

Analogs

36157455
36157458
36157482
36157486
36153645

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1S)-2-(diethylamino)-2-oxo-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)	1.43	6.69	-42.41	3	5	1	66	318.441	6	↓ MOL2 SDF SMILES Flexibase

36153662

Analogs

36153665
36153693
36153695
36157687
36212418

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	5.35	-44.79	4	5	1	75	318.441	6	↓ MOL2 SDF SMILES Flexibase

36153665

Analogs

36153693
36153695
36157687
36212418
36212419

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.55	5.37	-44.14	4	5	1	75	318.441	6	↓ MOL2 SDF SMILES Flexibase

36153682

Analogs

36153684
36212568
36212569

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

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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)	1.11	4.63	-44.47	4	5	1	75	304.414	5	↓ MOL2 SDF SMILES Flexibase

36153684

Analogs

36212568
36212569
36153682

Draw Identity 99% 90% 80% 70%

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

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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)	1.11	4.69	-44.19	4	5	1	75	304.414	5	↓ MOL2 SDF SMILES Flexibase

36153687

Analogs

36153690
36153767
36153771
36157577
36157580

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

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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)	0.69	3.65	-45.31	4	6	1	84	334.44	8	↓ MOL2 SDF SMILES Flexibase

36153690

Analogs

36153767
36153771
36157577
36157580
36157601

Draw Identity 99% 90% 80% 70%

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

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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)	0.69	3.7	-44.95	4	6	1	84	334.44	8	↓ MOL2 SDF SMILES Flexibase

36153693

Analogs

36153695
36157687
36212418
36212419
36212424

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-oxo-1-(4-piperidyl)-2-(propylamino)ethyl]benzamide N-[(1R)-2-oxo-1-(4-piperidyl)-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)	1.31	4.59	-44.64	4	5	1	75	304.414	6	↓ MOL2 SDF SMILES Flexibase

36153695

Analogs

36157687
36212418
36212419
36212424
36212425

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-oxo-1-(4-piperidyl)-2-(propylamino)ethyl]benzamide N-[(1S)-2-oxo-1-(4-piperidyl)-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)	1.31	4.64	-44.15	4	5	1	75	304.414	6	↓ MOL2 SDF SMILES Flexibase

36153698

Analogs

36153701
36212674
36212675

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Popular Name: N-[(1R)-2-(allylamino)-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1R)-2-(allylamino)-2-oxo-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)	1.08	4.38	-44.48	4	5	1	75	302.398	6	↓ MOL2 SDF SMILES Flexibase

36153701

Analogs

36212674
36212675
36153698

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(allylamino)-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1S)-2-(allylamino)-2-oxo-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)	1.08	4.42	-43.38	4	5	1	75	302.398	6	↓ MOL2 SDF SMILES Flexibase

36153703

Analogs

36153706
36153709
36153713
36212598
35743822

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

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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	5.82	-44.51	4	5	1	75	332.468	6	↓ MOL2 SDF SMILES Flexibase

36153706

Analogs

36153709
36153713
36212598
35743822
35743824

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1R)-2-[[(1S)-1,2-dimethylpro…

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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	6.13	-44.66	4	5	1	75	332.468	6	↓ MOL2 SDF SMILES Flexibase

36153709

Analogs

36153713
36212598
35743822
35743824
35743826

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-1-(4-piperidyl)ethyl]benzamide N-[(1S)-2-[[(1R)-1,2-dimethylpro…

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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	5.88	-44.14	4	5	1	75	332.468	6	↓ MOL2 SDF SMILES Flexibase

36153713

Analogs

36212598
35743822
35743824
35743826
35743828

Draw Identity 99% 90% 80% 70%

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

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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	6.18	-44.41	4	5	1	75	332.468	6	↓ MOL2 SDF SMILES Flexibase

36153726

Analogs

36153728
36212828
36212829
36212836
36212837

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-2-oxo-1-(4-piperidyl)ethyl]-4-methyl-benzamide N-[(1R)-2-(diethylamino)-2-oxo-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)	1.88	7.16	-50.84	3	5	1	66	332.468	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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