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ZINC Item

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71589459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-(2-aminoethyl)-1-piperidyl]-N-(2-ethylphenyl)-2-oxo-acetamide 2-[(3R)-3-(2-aminoethyl)-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)	1.18	5.05	-46.43	4	5	1	77	304.414	5	↓ MOL2 SDF SMILES Flexibase

71589460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-(2-aminoethyl)-1-piperidyl]-N-(2-ethylphenyl)-2-oxo-acetamide 2-[(3S)-3-(2-aminoethyl)-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)	1.18	5.15	-46.77	4	5	1	77	304.414	5	↓ MOL2 SDF SMILES Flexibase

36974959

Analogs

27560693
27560691

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(4-methylanilino)-2-oxo-acetyl]piperidine-2-carboxylic (2R)-1-[2-(4-methylanilino)-2-ox…

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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)	-0.40	6.95	-54.76	1	6	-1	90	289.311	3	↓ MOL2 SDF SMILES Flexibase

36974960

Analogs

27560693
27560691

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(4-methylanilino)-2-oxo-acetyl]piperidine-2-carboxylic (2S)-1-[2-(4-methylanilino)-2-ox…

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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)	-0.40	7.11	-55.54	1	6	-1	90	289.311	3	↓ MOL2 SDF SMILES Flexibase

62582987

Analogs

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Popular Name: N-(2-chloro-4-methoxy-phenyl)-2-[(3R)-3-methyl-1-piperidyl]-2-oxo-acetamide N-(2-chloro-4-methoxy-phenyl)-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)	2.28	5.38	-5.13	1	5	0	59	310.781	3	↓ MOL2 SDF SMILES Flexibase

62583025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methoxy-phenyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-acetamide N-(2-chloro-4-methoxy-phenyl)-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)	2.75	5.88	-4.77	1	5	0	59	324.808	3	↓ MOL2 SDF SMILES Flexibase

62583259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methoxy-phenyl)-2-(4-methyl-1-piperidyl)-2-oxo-acetamide N-(2-chloro-4-methoxy-phenyl)-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)	2.28	5.29	-4.9	1	5	0	59	310.781	3	↓ MOL2 SDF SMILES Flexibase

62584484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methoxy-phenyl)-2-[4-(hydroxymethyl)-1-piperidyl]-2-oxo-acetamide N-(2-chloro-4-methoxy-phenyl)-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)	1.27	2.03	-6.89	2	6	0	79	326.78	4	↓ MOL2 SDF SMILES Flexibase

62585594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methoxy-phenyl)-2-[4-(2-dimethylaminoethyl)-1-piperidyl]-2-oxo-acetamide N-(2-chloro-4-methoxy-phenyl)-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)	2.39	7.24	-40.47	2	6	1	63	368.885	6	↓ MOL2 SDF SMILES Flexibase

54874856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(3R)-3-methyl-1-piperidyl]-2-oxo-acetamide N-(2-bromo-4,5-dimethoxy-phenyl)…

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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)	2.00	5.44	-6.62	1	6	0	68	385.258	4	↓ MOL2 SDF SMILES Flexibase

54874857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-acetamide N-(2-bromo-4,5-dimethoxy-phenyl)…

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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)	2.00	5.37	-6.46	1	6	0	68	385.258	4	↓ MOL2 SDF SMILES Flexibase

54874915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-acetyl]amino]-N-[(1R)-1-methylpropyl]benzamide 4-[[2-[(3S,5R)-3,5-dimethyl-1-pi…

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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)	2.49	6.88	-9.19	2	6	0	79	359.47	5	↓ MOL2 SDF SMILES Flexibase

54874916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-acetyl]amino]-N-[(1S)-1-methylpropyl]benzamide 4-[[2-[(3S,5R)-3,5-dimethyl-1-pi…

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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)	2.49	6.88	-9.21	2	6	0	79	359.47	5	↓ MOL2 SDF SMILES Flexibase

54874917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-acetyl]amino]-N-[(1R)-1-methylpropyl]benzamide 4-[[2-[(3S,5S)-3,5-dimethyl-1-pi…

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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)	2.49	7.17	-9.45	2	6	0	79	359.47	5	↓ MOL2 SDF SMILES Flexibase

54874918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-acetyl]amino]-N-[(1S)-1-methylpropyl]benzamide 4-[[2-[(3S,5S)-3,5-dimethyl-1-pi…

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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)	2.49	7.17	-9.43	2	6	0	79	359.47	5	↓ MOL2 SDF SMILES Flexibase

54874922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyano-2-isopropoxy-phenyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-acetamide N-(5-cyano-2-isopropoxy-phenyl)-…

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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)	2.57	7.36	-8.11	1	6	0	82	343.427	4	↓ MOL2 SDF SMILES Flexibase

54874923

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyano-2-isopropoxy-phenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-acetamide N-(5-cyano-2-isopropoxy-phenyl)-…

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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)	2.57	7.69	-8.36	1	6	0	82	343.427	4	↓ MOL2 SDF SMILES Flexibase

54874924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyano-2-isopropoxy-phenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-acetamide N-(5-cyano-2-isopropoxy-phenyl)-…

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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)	2.57	7.6	-8.13	1	6	0	82	343.427	4	↓ MOL2 SDF SMILES Flexibase

54874928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-acetamide N-(2-bromo-4,5-dimethoxy-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	6.02	-6.4	1	6	0	68	399.285	4	↓ MOL2 SDF SMILES Flexibase

54874929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-acetamide N-(2-bromo-4,5-dimethoxy-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	6.26	-6.55	1	6	0	68	399.285	4	↓ MOL2 SDF SMILES Flexibase

54874930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-acetamide N-(2-bromo-4,5-dimethoxy-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	6.2	-6.35	1	6	0	68	399.285	4	↓ MOL2 SDF SMILES Flexibase

54875379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-(4-methyl-1-piperidyl)-2-oxo-acetamide N-(2-bromo-4,5-dimethoxy-phenyl)…

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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)	2.00	5.45	-6.64	1	6	0	68	385.258	4	↓ MOL2 SDF SMILES Flexibase

54876908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-butoxyphenyl)-2-[4-(hydroxymethyl)-1-piperidyl]-2-oxo-acetamide N-(3-butoxyphenyl)-2-[4-(hydroxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	3.92	-7.15	2	6	0	79	334.416	7	↓ MOL2 SDF SMILES Flexibase

54879801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-butoxyphenyl)-2-[4-(2-dimethylaminoethyl)-1-piperidyl]-2-oxo-acetamide N-(3-butoxyphenyl)-2-[4-(2-dimet…

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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	9.14	-42.19	2	6	1	63	376.521	9	↓ MOL2 SDF SMILES Flexibase

57731023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(5-carbamoyl-2-methyl-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(5-carbamoyl-2-methyl-anili…

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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)	0.54	4.21	-21.12	3	8	0	113	388.468	6	↓ MOL2 SDF SMILES Flexibase

57731155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(5-cyano-2-methyl-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(5-cyano-2-methyl-anilino)-…

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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)	1.47	7.81	-15.6	1	7	0	94	370.453	5	↓ MOL2 SDF SMILES Flexibase

57731162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2,3-difluoroanilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(2,3-difluoroanilino)-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)	1.57	6.84	-13.24	1	6	0	70	367.396	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.76	6.97	-49.64	0	6	-1	76	366.388	5	↓ MOL2 SDF SMILES Flexibase

57731167

Analogs

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Popular Name: 1-[2-(2-chloro-4-methoxy-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(2-chloro-4-methoxy-anilino…

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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	6.49	-12.2	1	7	0	79	395.887	6	↓ MOL2 SDF SMILES Flexibase

57731170

Analogs

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Popular Name: N,N-diethyl-1-[2-oxo-2-(N,2,3-trimethylanilino)acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-oxo-2-(N,2,3-tr…

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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	9.96	-15.2	0	6	0	61	373.497	5	↓ MOL2 SDF SMILES Flexibase

57731178

Analogs

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Popular Name: N,N-diethyl-1-[2-oxo-2-(N,2,5-trimethylanilino)acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-oxo-2-(N,2,5-tr…

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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	10.08	-15.01	0	6	0	61	373.497	5	↓ MOL2 SDF SMILES Flexibase

57731182

Analogs

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Popular Name: N,N-diethyl-1-[2-oxo-2-(N,3,5-trimethylanilino)acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-oxo-2-(N,3,5-tr…

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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	9.3	-14.54	0	6	0	61	373.497	5	↓ MOL2 SDF SMILES Flexibase

57731185

Analogs

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Popular Name: 1-[2-(3-cyano-N-methyl-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(3-cyano-N-methyl-anilino)-…

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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)	1.32	8.35	-15.42	0	7	0	85	370.453	5	↓ MOL2 SDF SMILES Flexibase

57731193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-chloro-2-methoxy-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(3-chloro-2-methoxy-anilino…

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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)	1.98	6.66	-12.48	1	7	0	79	395.887	6	↓ MOL2 SDF SMILES Flexibase

57731202

Analogs

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Popular Name: 1-[2-(4-ethoxy-3-methyl-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(4-ethoxy-3-methyl-anilino)…

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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)	2.15	7.62	-12.68	1	7	0	79	389.496	7	↓ MOL2 SDF SMILES Flexibase

57731203

Analogs

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Popular Name: 1-[2-(2-chloro-5-methoxy-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(2-chloro-5-methoxy-anilino…

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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	6.5	-13.49	1	7	0	79	395.887	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.19	5.21	-54.93	0	7	-1	85	394.879	6	↓ MOL2 SDF SMILES Flexibase

57731209

Analogs

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Popular Name: 1-[2-(3-allyloxyanilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(3-allyloxyanilino)-2-oxo-a…

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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)	2.02	7.41	-14.6	1	7	0	79	387.48	8	↓ MOL2 SDF SMILES Flexibase

57731214

Analogs

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Popular Name: 1-[2-(4-ethoxy-2-methyl-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(4-ethoxy-2-methyl-anilino)…

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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)	2.15	7.76	-12.7	1	7	0	79	389.496	7	↓ MOL2 SDF SMILES Flexibase

57731227

Analogs

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Popular Name: 1-[2-[2-(ethoxymethyl)anilino]-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-[2-(ethoxymethyl)anilino]-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)	1.62	7.68	-12.21	1	7	0	79	389.496	8	↓ MOL2 SDF SMILES Flexibase

57731231

Analogs

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Popular Name: 1-[2-(3-ethoxyanilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(3-ethoxyanilino)-2-oxo-ace…

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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	6.89	-14.22	1	7	0	79	375.469	7	↓ MOL2 SDF SMILES Flexibase

57731239

Analogs

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Popular Name: N,N-diethyl-1-[2-(2-ethylsulfanylanilino)-2-oxo-acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-(2-ethylsulfany…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	8.59	-12.89	1	6	0	70	391.537	7	↓ MOL2 SDF SMILES Flexibase

57731243

Analogs

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Popular Name: N,N-diethyl-1-[2-(2-methoxy-N-methyl-anilino)-2-oxo-acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-(2-methoxy-N-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	7.75	-17.75	0	7	0	70	375.469	6	↓ MOL2 SDF SMILES Flexibase

57731250

Analogs

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Popular Name: 1-[2-(4-ethoxy-3-fluoro-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(4-ethoxy-3-fluoro-anilino)…

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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)	1.87	6.94	-15.57	1	7	0	79	393.459	7	↓ MOL2 SDF SMILES Flexibase

57731256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-1-[2-(4-methoxy-3-methyl-anilino)-2-oxo-acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-(4-methoxy-3-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	6.69	-12.85	1	7	0	79	375.469	6	↓ MOL2 SDF SMILES Flexibase

57731258

Analogs

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Popular Name: 1-[2-(3,5-difluoro-4-methoxy-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(3,5-difluoro-4-methoxy-ani…

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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	6.14	-13.84	1	7	0	79	397.422	6	↓ MOL2 SDF SMILES Flexibase

57731271

Analogs

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Popular Name: N,N-diethyl-1-[2-(2-fluoro-5-nitro-anilino)-2-oxo-acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-(2-fluoro-5-nit…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	7.41	-15.26	1	9	0	116	394.403	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.58	6.02	-52.36	0	9	-1	122	393.395	6	↓ MOL2 SDF SMILES Flexibase

57731276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-1-[2-oxo-2-(N,2,4-trimethylanilino)acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-oxo-2-(N,2,4-tr…

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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	10.08	-15.05	0	6	0	61	373.497	5	↓ MOL2 SDF SMILES Flexibase

57731290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-ethoxy-4-fluoro-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(2-ethoxy-4-fluoro-anilino)…

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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)	1.87	6.99	-12.1	1	7	0	79	393.459	7	↓ MOL2 SDF SMILES Flexibase

57731298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-ethoxy-4-methyl-anilino)-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-(2-ethoxy-4-methyl-anilino)…

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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)	2.15	7.57	-12.89	1	7	0	79	389.496	7	↓ MOL2 SDF SMILES Flexibase

57731393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-1-[2-(N-methyl-4-nitro-anilino)-2-oxo-acetyl]piperidine-4-carboxamide N,N-diethyl-1-[2-(N-methyl-4-nit…

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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	8.69	-16.69	0	9	0	107	390.44	6	↓ MOL2 SDF SMILES Flexibase

57731406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[4-(dimethylamino)-2-methyl-anilino]-2-oxo-acetyl]-N,N-diethyl-piperidine-4-carboxamide 1-[2-[4-(dimethylamino)-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)	1.82	7.82	-13.2	1	7	0	73	388.512	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.82	8.61	-34.15	2	7	0	74	389.52	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 24198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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