ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	8.91	-38.21	3	6	1	66	389.564	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.78	9.33	-81.99	4	6	0	67	390.572	9	↓ MOL2 SDF SMILES Flexibase

69516413

Analogs

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Popular Name: N'-[3-[isopropyl(methyl)amino]phenyl]-N-[4-[(2S)-2-methyl-1-piperidyl]butyl]oxamide N'-[3-[isopropyl(methyl)amino]ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	8.91	-38.2	3	6	1	66	389.564	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.78	9.34	-81.92	4	6	0	67	390.572	9	↓ MOL2 SDF SMILES Flexibase

69516417

Analogs

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Popular Name: N'-[3-[isopropyl(methyl)amino]phenyl]-N-[4-[(3R)-3-methyl-1-piperidyl]butyl]oxamide N'-[3-[isopropyl(methyl)amino]ph…

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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)	2.69	9.02	-40.31	3	6	1	66	389.564	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.69	9.45	-83.99	4	6	0	67	390.572	9	↓ MOL2 SDF SMILES Flexibase

69516422

Analogs

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Popular Name: N'-[3-[isopropyl(methyl)amino]phenyl]-N-[4-[(3S)-3-methyl-1-piperidyl]butyl]oxamide N'-[3-[isopropyl(methyl)amino]ph…

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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)	2.69	9.02	-40.3	3	6	1	66	389.564	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.69	9.44	-83.9	4	6	0	67	390.572	9	↓ MOL2 SDF SMILES Flexibase

65516011

Analogs

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Popular Name: N'-(3,4-difluorophenyl)-N-[4-[(3S,5R)-3,5-dimethyl-1-piperidyl]butyl]-N'-methyl-oxamide N'-(3,4-difluorophenyl)-N-[4-[(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)	2.92	9.29	-41.66	2	5	1	54	382.475	7	↓ MOL2 SDF SMILES Flexibase

65516013

Analogs

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Popular Name: N'-(3,4-difluorophenyl)-N-[4-[(3S,5S)-3,5-dimethyl-1-piperidyl]butyl]-N'-methyl-oxamide N'-(3,4-difluorophenyl)-N-[4-[(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)	2.92	9.29	-40.96	2	5	1	54	382.475	7	↓ MOL2 SDF SMILES Flexibase

65516015

Analogs

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Popular Name: N'-(3,4-difluorophenyl)-N-[4-[(3R,5R)-3,5-dimethyl-1-piperidyl]butyl]-N'-methyl-oxamide N'-(3,4-difluorophenyl)-N-[4-[(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)	2.92	9.29	-41.09	2	5	1	54	382.475	7	↓ MOL2 SDF SMILES Flexibase

41783879

Analogs

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Popular Name: N'-(4-bromophenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(4-bromophenyl)-N-[4-(4-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)	2.75	7.83	-40.62	3	5	1	63	397.337	7	↓ MOL2 SDF SMILES Flexibase

41783893

Analogs

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Popular Name: N'-(3,4-dichlorophenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(3,4-dichlorophenyl)-N-[4-(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)	3.23	8.18	-41.74	3	5	1	63	387.331	7	↓ MOL2 SDF SMILES Flexibase

41783894

Analogs

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Popular Name: N'-[4-(4-methyl-1-piperidyl)butyl]-N-(2,4,6-trimethylphenyl)oxamide N'-[4-(4-methyl-1-piperidyl)buty…

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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	9.48	-40.48	3	5	1	63	360.522	7	↓ MOL2 SDF SMILES Flexibase

41783902

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-N'-[4-(4-methyl-1-piperidyl)butyl]oxamide N-(3-chloro-4-methyl-phenyl)-N'-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	8.3	-41.32	3	5	1	63	366.913	7	↓ MOL2 SDF SMILES Flexibase

41783912

Analogs

41783927

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Popular Name: N'-(4-tert-butylphenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(4-tert-butylphenyl)-N-[4-(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)	3.65	9.53	-40.15	3	5	1	63	374.549	8	↓ MOL2 SDF SMILES Flexibase

41783918

Analogs

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Popular Name: N'-(2,4-dichlorophenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(2,4-dichlorophenyl)-N-[4-(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)	3.23	8.34	-39.72	3	5	1	63	387.331	7	↓ MOL2 SDF SMILES Flexibase

41783927

Analogs

41783912

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Popular Name: N'-(4-isopropylphenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(4-isopropylphenyl)-N-[4-(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)	3.46	9.12	-40.17	3	5	1	63	360.522	8	↓ MOL2 SDF SMILES Flexibase

41783931

Analogs

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Popular Name: N'-(2-isopropylphenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(2-isopropylphenyl)-N-[4-(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)	2.93	9.3	-40.16	3	5	1	63	360.522	8	↓ MOL2 SDF SMILES Flexibase

41783939

Analogs

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Popular Name: N'-(2,3-dichlorophenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(2,3-dichlorophenyl)-N-[4-(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)	3.20	8.29	-40.8	3	5	1	63	387.331	7	↓ MOL2 SDF SMILES Flexibase

41783945

Analogs

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Popular Name: N'-(4-chloro-2-fluoro-phenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(4-chloro-2-fluoro-phenyl)-N-…

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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)	2.71	7.83	-40.13	3	5	1	63	370.876	7	↓ MOL2 SDF SMILES Flexibase

41783949

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-N'-[4-(4-methyl-1-piperidyl)butyl]oxamide N-(3-fluoro-4-methyl-phenyl)-N'-…

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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	7.9	-42.08	3	5	1	63	350.458	7	↓ MOL2 SDF SMILES Flexibase

41783950

Analogs

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Popular Name: N-(2-isopropyl-6-methyl-phenyl)-N'-[4-(4-methyl-1-piperidyl)butyl]oxamide N-(2-isopropyl-6-methyl-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)	2.40	10.29	-40.27	3	5	1	63	374.549	8	↓ MOL2 SDF SMILES Flexibase

41783979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-N'-[4-(4-methyl-1-piperidyl)butyl]oxamide N-(5-chloro-2-methyl-phenyl)-N'-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	8.61	-40.98	3	5	1	63	366.913	7	↓ MOL2 SDF SMILES Flexibase

41784017

Analogs

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Popular Name: N-(2-ethylphenyl)-N'-[4-(4-methyl-1-piperidyl)butyl]oxamide N-(2-ethylphenyl)-N'-[4-(4-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)	2.81	8.86	-40.28	3	5	1	63	346.495	8	↓ MOL2 SDF SMILES Flexibase

41784052

Analogs

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Popular Name: N'-[4-(4-methyl-1-piperidyl)butyl]-N-(3-propoxyphenyl)oxamide N'-[4-(4-methyl-1-piperidyl)buty…

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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)	2.85	8.22	-42.19	3	6	1	72	376.521	10	↓ MOL2 SDF SMILES Flexibase

41784070

Analogs

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Popular Name: N'-(3-chloro-2-fluoro-phenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(3-chloro-2-fluoro-phenyl)-N-…

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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)	2.69	7.81	-41.42	3	5	1	63	370.876	7	↓ MOL2 SDF SMILES Flexibase

41784074

Analogs

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Popular Name: N'-[4-(4-methyl-1-piperidyl)butyl]-N-(2-propoxyphenyl)oxamide N'-[4-(4-methyl-1-piperidyl)buty…

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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)	2.83	8.34	-40.79	3	6	1	72	376.521	10	↓ MOL2 SDF SMILES Flexibase

41784080

Analogs

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Popular Name: N'-[4-(methylcarbamoyl)phenyl]-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-[4-(methylcarbamoyl)phenyl]-N…

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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)	1.14	5.5	-47.76	4	7	1	92	375.493	8	↓ MOL2 SDF SMILES Flexibase

41784147

Analogs

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Popular Name: N'-(3-isopropylphenyl)-N-[4-(4-methyl-1-piperidyl)butyl]oxamide N'-(3-isopropylphenyl)-N-[4-(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)	3.43	9.12	-40.41	3	5	1	63	360.522	8	↓ MOL2 SDF SMILES Flexibase

41787840

Analogs

41787843
41790763
41790768
41790772

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Popular Name: N-[4-[(3R)-3-methyl-1-piperidyl]butyl]-N'-phenyl-oxamide N-[4-[(3R)-3-methyl-1-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)	1.94	7.18	-40.13	3	5	1	63	318.441	7	↓ MOL2 SDF SMILES Flexibase

41787843

Analogs

41790763
41790768
41790772
41787840

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Popular Name: N-[4-[(3S)-3-methyl-1-piperidyl]butyl]-N'-phenyl-oxamide N-[4-[(3S)-3-methyl-1-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)	1.94	7.18	-40.17	3	5	1	63	318.441	7	↓ MOL2 SDF SMILES Flexibase

41787871

Analogs

41787874
41790824
41790828
41790832

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Popular Name: N'-[4-[(3S)-3-methyl-1-piperidyl]butyl]-N-(o-tolyl)oxamide N'-[4-[(3S)-3-methyl-1-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)	2.34	8.08	-40.1	3	5	1	63	332.468	7	↓ MOL2 SDF SMILES Flexibase

41787874

Analogs

41790824
41790828
41790832
41787871

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Popular Name: N'-[4-[(3R)-3-methyl-1-piperidyl]butyl]-N-(o-tolyl)oxamide N'-[4-[(3R)-3-methyl-1-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)	2.34	8.08	-40.12	3	5	1	63	332.468	7	↓ MOL2 SDF SMILES Flexibase

41787909

Analogs

41787912
41790909
41790913
41790917

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Popular Name: N-(4-ethoxyphenyl)-N'-[4-[(3S)-3-methyl-1-piperidyl]butyl]oxamide N-(4-ethoxyphenyl)-N'-[4-[(3S)-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)	2.38	7.4	-41.11	3	6	1	72	362.494	9	↓ MOL2 SDF SMILES Flexibase

41787912

Analogs

41790909
41790913
41790917
41787909

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Popular Name: N-(4-ethoxyphenyl)-N'-[4-[(3R)-3-methyl-1-piperidyl]butyl]oxamide N-(4-ethoxyphenyl)-N'-[4-[(3R)-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)	2.38	7.4	-41.15	3	6	1	72	362.494	9	↓ MOL2 SDF SMILES Flexibase

41787946

Analogs

41787949
41788072
41788075
41790873
41790877

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[4-[(3S)-3-methyl-1-piperidyl]butyl]-N-(2,4,6-trimethylphenyl)oxamide N'-[4-[(3S)-3-methyl-1-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)	2.21	9.46	-40.02	3	5	1	63	360.522	7	↓ MOL2 SDF SMILES Flexibase

41787949

Analogs

41788072
41788075
41790873
41790877
41790881

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[4-[(3R)-3-methyl-1-piperidyl]butyl]-N-(2,4,6-trimethylphenyl)oxamide N'-[4-[(3R)-3-methyl-1-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)	2.21	9.46	-39.98	3	5	1	63	360.522	7	↓ MOL2 SDF SMILES Flexibase

41787952

Analogs

41787955
41790995
41790999
41791003

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[4-[(3S)-3-methyl-1-piperidyl]butyl]-N-(p-tolyl)oxamide N'-[4-[(3S)-3-methyl-1-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)	2.39	7.86	-40.19	3	5	1	63	332.468	7	↓ MOL2 SDF SMILES Flexibase

41787955

Analogs

41790995
41790999
41791003
41787952

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Popular Name: N'-[4-[(3R)-3-methyl-1-piperidyl]butyl]-N-(p-tolyl)oxamide N'-[4-[(3R)-3-methyl-1-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)	2.39	7.86	-40.18	3	5	1	63	332.468	7	↓ MOL2 SDF SMILES Flexibase

41787964

Analogs

41787966
41791019
41791023
41791027

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Popular Name: N'-(4-methoxyphenyl)-N-[4-[(3R)-3-methyl-1-piperidyl]butyl]oxamide N'-(4-methoxyphenyl)-N-[4-[(3R)-…

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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	6.47	-41.35	3	6	1	72	348.467	8	↓ MOL2 SDF SMILES Flexibase

41787966

Analogs

41791019
41791023
41791027
41787964

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-methoxyphenyl)-N-[4-[(3S)-3-methyl-1-piperidyl]butyl]oxamide N'-(4-methoxyphenyl)-N-[4-[(3S)-…

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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	6.47	-41.38	3	6	1	72	348.467	8	↓ MOL2 SDF SMILES Flexibase

41787987

Analogs

41787990
41791071
41791075
41791079

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3R)-3-methyl-1-piperidyl]butyl]-N'-(3-methylsulfanylphenyl)oxamide N-[4-[(3R)-3-methyl-1-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)	2.35	8.2	-41.63	3	5	1	63	364.535	8	↓ MOL2 SDF SMILES Flexibase

41787990

Analogs

41791071
41791075
41791079
41787987

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3S)-3-methyl-1-piperidyl]butyl]-N'-(3-methylsulfanylphenyl)oxamide N-[4-[(3S)-3-methyl-1-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)	2.35	8.2	-41.71	3	5	1	63	364.535	8	↓ MOL2 SDF SMILES Flexibase

41787993

Analogs

41787996
41791084
41791088
41791092

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Popular Name: N-(3-chloro-4-methyl-phenyl)-N'-[4-[(3S)-3-methyl-1-piperidyl]butyl]oxamide N-(3-chloro-4-methyl-phenyl)-N'-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	8.28	-40.94	3	5	1	63	366.913	7	↓ MOL2 SDF SMILES Flexibase

41787996

Analogs

41791084
41791088
41791092
41787993

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-N'-[4-[(3R)-3-methyl-1-piperidyl]butyl]oxamide N-(3-chloro-4-methyl-phenyl)-N'-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	8.28	-40.93	3	5	1	63	366.913	7	↓ MOL2 SDF SMILES Flexibase

41788005

Analogs

41788007
41791109
41791113
41791117

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-chlorophenyl)-N-[4-[(3R)-3-methyl-1-piperidyl]butyl]oxamide N'-(4-chlorophenyl)-N-[4-[(3R)-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)	2.62	7.7	-40.15	3	5	1	63	352.886	7	↓ MOL2 SDF SMILES Flexibase

41788007

Analogs

41791109
41791113
41791117
41788005

Draw Identity 99% 90% 80% 70%

Popular Name: N'-(4-chlorophenyl)-N-[4-[(3S)-3-methyl-1-piperidyl]butyl]oxamide N'-(4-chlorophenyl)-N-[4-[(3S)-3…

Find On: PubMed — Wikipedia — Google

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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)	2.62	7.7	-40.13	3	5	1	63	352.886	7	↓ MOL2 SDF SMILES Flexibase

41788047

Analogs

41788050
41791171
41791176
41791180

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methyl-phenyl)-N'-[4-[(3S)-3-methyl-1-piperidyl]butyl]oxamide N-(4-chloro-2-methyl-phenyl)-N'-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	8.58	-40.06	3	5	1	63	366.913	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 77059
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 77059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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    });
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