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ZINC Item

Suppliers, Protomers, & Similar Substances

6728968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dimethyl-1-piperidyl)-(3-isopropoxyphenyl)-methanone (2,6-dimethyl-1-piperidyl)-(3-is…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	1.34	-9.55	0	3	0	29	275.392	3	↓ MOL2 SDF SMILES Flexibase

6728971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,6-dimethyl-1-piperidyl)-(3-isopropoxyphenyl)-methanone (2,6-dimethyl-1-piperidyl)-(3-is…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	1.33	-9.79	0	3	0	29	275.392	3	↓ MOL2 SDF SMILES Flexibase

6729875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[4-(1-piperidylcarbonyl)phenyl]-ethanesulfonamide N-methyl-N-[4-(1-piperidylcarbon…

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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)	1.67	-3.05	-16.63	0	5	0	57	310.419	4	↓ MOL2 SDF SMILES Flexibase

6729894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-methyl-5-(1-piperidylcarbonyl)benzenesulfonamide 2-methoxy-N-methyl-5-(1-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)	0.86	-4.74	-18.7	1	6	0	75	312.391	4	↓ MOL2 SDF SMILES Flexibase

39894841

Analogs

493241

Draw Identity 99% 90% 80% 70%

Popular Name: 4-piperidinecarboxylic acid, 1-(2-carboxybenzoyl)- 4-piperidinecarboxylic acid, 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)	0.45	8.39	-125.82	0	6	-2	101	275.26	3	↓ MOL2 SDF SMILES Flexibase

40024464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-[3-(ethoxymethyl)-4-methoxy-benzoyl]-4-piperidyl]methanesulfonamide N-[1-[3-(ethoxymethyl)-4-methoxy…

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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)	0.77	2.57	-21.14	1	7	0	85	370.471	7	↓ MOL2 SDF SMILES Flexibase

40332702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2-chloro-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (5-amino-2-chloro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	6.76	-46.45	3	4	1	51	296.822	3	↓ MOL2 SDF SMILES Flexibase

40332703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-chloro-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (2-amino-4-chloro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	6.99	-42.62	3	4	1	51	296.822	3	↓ MOL2 SDF SMILES Flexibase

40332704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-2-chloro-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (4-amino-2-chloro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.39	6.76	-46.5	3	4	1	51	296.822	3	↓ MOL2 SDF SMILES Flexibase

40332705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-5-chloro-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (2-amino-5-chloro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	6.97	-42.61	3	4	1	51	296.822	3	↓ MOL2 SDF SMILES Flexibase

40332706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-4-methoxy-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (3-amino-4-methoxy-phenyl)-[4-(d…

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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	5.64	-44.72	3	5	1	60	292.403	4	↓ MOL2 SDF SMILES Flexibase

40332707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-2-methyl-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (3-amino-2-methyl-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	7.02	-44.66	3	4	1	51	276.404	3	↓ MOL2 SDF SMILES Flexibase

40332709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-3-methyl-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (2-amino-3-methyl-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	7.21	-43.57	3	4	1	51	276.404	3	↓ MOL2 SDF SMILES Flexibase

40332710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-6-methyl-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (2-amino-6-methyl-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.54	6.98	-43.93	3	4	1	51	276.404	3	↓ MOL2 SDF SMILES Flexibase

40332711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-4-fluoro-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (3-amino-4-fluoro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.28	6.36	-45.82	3	4	1	51	280.367	3	↓ MOL2 SDF SMILES Flexibase

40332714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2-fluoro-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (5-amino-2-fluoro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.88	6.31	-47.3	3	4	1	51	280.367	3	↓ MOL2 SDF SMILES Flexibase

40332721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-5-fluoro-4-methyl-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (3-amino-5-fluoro-4-methyl-pheny…

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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)	1.66	7.06	-48.53	3	4	1	51	294.394	3	↓ MOL2 SDF SMILES Flexibase

40332722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-5-methoxy-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (2-amino-5-methoxy-phenyl)-[4-(d…

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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	5.74	-43.51	3	5	1	60	292.403	4	↓ MOL2 SDF SMILES Flexibase

40332725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-4-bromo-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (3-amino-4-bromo-phenyl)-[4-(dim…

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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)	1.93	6.98	-45.29	3	4	1	51	341.273	3	↓ MOL2 SDF SMILES Flexibase

40332726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2-methoxy-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (5-amino-2-methoxy-phenyl)-[4-(d…

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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	5.83	-46.54	3	5	1	60	292.403	4	↓ MOL2 SDF SMILES Flexibase

40332728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-diaminophenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (2,4-diaminophenyl)-[4-(dimethyl…

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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)	0.19	4.32	-43.94	5	5	1	77	277.392	3	↓ MOL2 SDF SMILES Flexibase

40332729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-diaminophenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (3,5-diaminophenyl)-[4-(dimethyl…

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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)	-0.21	4.1	-44.9	5	5	1	77	277.392	3	↓ MOL2 SDF SMILES Flexibase

40332730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-4,5-dichloro-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (3-amino-4,5-dichloro-phenyl)-[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)	2.40	7.26	-45.67	3	4	1	51	331.267	3	↓ MOL2 SDF SMILES Flexibase

40332738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2,4-difluoro-phenyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (5-amino-2,4-difluoro-phenyl)-[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)	1.37	6.43	-48.39	3	4	1	51	298.357	3	↓ MOL2 SDF SMILES Flexibase

40333108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2-chloro-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (5-amino-2-chloro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	6.83	-41.73	3	4	1	51	310.849	4	↓ MOL2 SDF SMILES Flexibase

40333109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-4-chloro-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (2-amino-4-chloro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	7.06	-39.8	3	4	1	51	310.849	4	↓ MOL2 SDF SMILES Flexibase

40333110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-2-chloro-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (4-amino-2-chloro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	6.83	-41.75	3	4	1	51	310.849	4	↓ MOL2 SDF SMILES Flexibase

40333111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-5-chloro-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (2-amino-5-chloro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	7.05	-38.62	3	4	1	51	310.849	4	↓ MOL2 SDF SMILES Flexibase

40333112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-2-methyl-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (3-amino-2-methyl-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	7.12	-39.91	3	4	1	51	290.431	4	↓ MOL2 SDF SMILES Flexibase

40333116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-amino-3-methyl-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (2-amino-3-methyl-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	7.32	-39.06	3	4	1	51	290.431	4	↓ MOL2 SDF SMILES Flexibase

40333117

Analogs

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Popular Name: (2-amino-6-methyl-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (2-amino-6-methyl-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	7.11	-40.51	3	4	1	51	290.431	4	↓ MOL2 SDF SMILES Flexibase

40333118

Analogs

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Popular Name: (3-amino-4-fluoro-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (3-amino-4-fluoro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	6.44	-41.86	3	4	1	51	294.394	4	↓ MOL2 SDF SMILES Flexibase

40333120

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-2-fluoro-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (5-amino-2-fluoro-phenyl)-[4-(di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	6.44	-44.24	3	4	1	51	294.394	4	↓ MOL2 SDF SMILES Flexibase

40333126

Analogs

40305005

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-4-bromo-phenyl)-[4-(diethylamino)-1-piperidyl]methanone (3-amino-4-bromo-phenyl)-[4-(die…

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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)	2.30	7.05	-41.41	3	4	1	51	355.3	4	↓ MOL2 SDF SMILES Flexibase

40333127

Analogs

40305009

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-diaminophenyl)-[4-(diethylamino)-1-piperidyl]methanone (2,4-diaminophenyl)-[4-(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)	0.56	4.42	-39.48	5	5	1	77	291.419	4	↓ MOL2 SDF SMILES Flexibase

40333128

Analogs

40305010

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-diaminophenyl)-[4-(diethylamino)-1-piperidyl]methanone (3,5-diaminophenyl)-[4-(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)	0.16	4.21	-41.45	5	5	1	77	291.419	4	↓ MOL2 SDF SMILES Flexibase

50906034

Analogs

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Popular Name: (4-chloro-3-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (4-chloro-3-nitro-phenyl)-(4-pro…

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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)	3.86	9.53	-12.52	0	5	0	66	310.781	4	↓ MOL2 SDF SMILES Flexibase

50906036

Analogs

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Popular Name: (2-chloro-5-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (2-chloro-5-nitro-phenyl)-(4-pro…

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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)	3.86	9.67	-7.92	0	5	0	66	310.781	4	↓ MOL2 SDF SMILES Flexibase

50906039

Analogs

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Popular Name: (5-chloro-2-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (5-chloro-2-nitro-phenyl)-(4-pro…

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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)	3.86	10.5	-12.91	0	5	0	66	310.781	4	↓ MOL2 SDF SMILES Flexibase

50906049

Analogs

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Popular Name: (4-bromo-3-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (4-bromo-3-nitro-phenyl)-(4-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)	3.99	9.61	-12.33	0	5	0	66	355.232	4	↓ MOL2 SDF SMILES Flexibase

50906050

Analogs

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Popular Name: (4-fluoro-3-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (4-fluoro-3-nitro-phenyl)-(4-pro…

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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)	3.35	9.19	-13.59	0	5	0	66	294.326	4	↓ MOL2 SDF SMILES Flexibase

50906053

Analogs

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Popular Name: (2-iodo-5-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (2-iodo-5-nitro-phenyl)-(4-propy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	10.21	-6.78	0	5	0	66	402.232	4	↓ MOL2 SDF SMILES Flexibase

50906054

Analogs

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Popular Name: (2-fluoro-5-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (2-fluoro-5-nitro-phenyl)-(4-pro…

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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)	3.35	9.21	-9.27	0	5	0	66	294.326	4	↓ MOL2 SDF SMILES Flexibase

50906059

Analogs

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Popular Name: (5-fluoro-2-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (5-fluoro-2-nitro-phenyl)-(4-pro…

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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)	3.35	10.06	-13.16	0	5	0	66	294.326	4	↓ MOL2 SDF SMILES Flexibase

50906061

Analogs

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Popular Name: (2-fluorophenyl)-(4-propyl-1-piperidyl)methanone (2-fluorophenyl)-(4-propyl-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)	3.41	8.51	-11.78	0	2	0	20	249.329	3	↓ MOL2 SDF SMILES Flexibase

50906063

Analogs

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Popular Name: (4-fluorophenyl)-(4-propyl-1-piperidyl)methanone (4-fluorophenyl)-(4-propyl-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)	3.46	8.52	-7.04	0	2	0	20	249.329	3	↓ MOL2 SDF SMILES Flexibase

50906069

Analogs

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Popular Name: (5-chloro-2-fluoro-phenyl)-(4-propyl-1-piperidyl)methanone (5-chloro-2-fluoro-phenyl)-(4-pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	9.02	-8.64	0	2	0	20	283.774	3	↓ MOL2 SDF SMILES Flexibase

50906071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromo-5-nitro-phenyl)-(4-propyl-1-piperidyl)methanone (2-bromo-5-nitro-phenyl)-(4-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)	3.99	9.76	-7.49	0	5	0	66	355.232	4	↓ MOL2 SDF SMILES Flexibase

50906288

Analogs

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Popular Name: 4-(4-propylpiperidine-1-carbonyl)benzonitrile 4-(4-propylpiperidine-1-carbonyl…

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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	8.84	-9.4	0	3	0	44	256.349	3	↓ MOL2 SDF SMILES Flexibase

50906290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-propylpiperidine-1-carbonyl)benzonitrile 3-(4-propylpiperidine-1-carbonyl…

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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)	3.03	8.83	-8.76	0	3	0	44	256.349	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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