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ZINC Item

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53664137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-(1-methylimidazol-2-yl)-4-piperidyl]methanamine N-methyl-1-[1-(1-methylimidazol-…

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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)	0.98	7.76	-79.93	3	4	2	39	210.325	3	↓ MOL2 SDF SMILES Flexibase

53664140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(1-ethylimidazol-2-yl)-4-piperidyl]-N-methyl-methanamine 1-[1-(1-ethylimidazol-2-yl)-4-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)	1.35	8.62	-79.71	3	4	2	39	224.352	4	↓ MOL2 SDF SMILES Flexibase

53664485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(1-methylimidazol-2-yl)-4-piperidyl]methyl]ethanamine N-[[1-(1-methylimidazol-2-yl)-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)	1.00	8.63	-79.65	3	4	2	39	224.352	4	↓ MOL2 SDF SMILES Flexibase

53664609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(1-ethylimidazol-2-yl)-4-piperidyl]methyl]propan-1-amine N-[[1-(1-ethylimidazol-2-yl)-4-p…

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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	10.27	-81.01	3	4	2	39	252.406	6	↓ MOL2 SDF SMILES Flexibase

53664747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(1-ethylimidazol-2-yl)-4-piperidyl]methyl]propan-2-amine N-[[1-(1-ethylimidazol-2-yl)-4-p…

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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	10	-78.94	3	4	2	39	252.406	5	↓ MOL2 SDF SMILES Flexibase

62843629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(1-methylimidazol-2-yl)piperidine-4-carboxylic 4-methyl-1-(1-methylimidazol-2-y…

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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)	0.68	8.68	-56.73	1	5	0	62	223.276	2	↓ MOL2 SDF SMILES Flexibase

62843630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-ethylimidazol-2-yl)-4-methyl-piperidine-4-carboxylic 1-(1-ethylimidazol-2-yl)-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)	1.06	9.49	-55.88	1	5	0	62	237.303	3	↓ MOL2 SDF SMILES Flexibase

62845658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(1-methylimidazol-2-yl)piperidine-4-carboxylic 4-ethyl-1-(1-methylimidazol-2-yl…

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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)	1.01	9.17	-55.94	1	5	0	62	237.303	3	↓ MOL2 SDF SMILES Flexibase

62845659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(1-ethylimidazol-2-yl)piperidine-4-carboxylic 4-ethyl-1-(1-ethylimidazol-2-yl)…

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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	10.06	-55.18	1	5	0	62	251.33	4	↓ MOL2 SDF SMILES Flexibase

62845988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-methylimidazol-2-yl)-4-propyl-piperidine-4-carboxylic 1-(1-methylimidazol-2-yl)-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)	1.57	9.9	-56.15	1	5	0	62	251.33	4	↓ MOL2 SDF SMILES Flexibase

62845990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-ethylimidazol-2-yl)-4-propyl-piperidine-4-carboxylic 1-(1-ethylimidazol-2-yl)-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)	1.95	10.78	-55.4	1	5	0	62	265.357	5	↓ MOL2 SDF SMILES Flexibase

62874336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic (3S)-3-methyl-1-(1-methylimidazo…

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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)	0.68	9.08	-52.65	1	5	0	62	223.276	2	↓ MOL2 SDF SMILES Flexibase

62874337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic (3R)-3-methyl-1-(1-methylimidazo…

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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)	0.68	9.05	-52.33	1	5	0	62	223.276	2	↓ MOL2 SDF SMILES Flexibase

62874338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-ethylimidazol-2-yl)-3-methyl-piperidine-3-carboxylic (3R)-1-(1-ethylimidazol-2-yl)-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)	1.06	9.95	-51.95	1	5	0	62	237.303	3	↓ MOL2 SDF SMILES Flexibase

62874339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-ethylimidazol-2-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(1-ethylimidazol-2-yl)-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)	1.06	9.88	-52.5	1	5	0	62	237.303	3	↓ MOL2 SDF SMILES Flexibase

62874850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic (3S)-3-ethyl-1-(1-methylimidazol…

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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)	1.01	9.59	-51.78	1	5	0	62	237.303	3	↓ MOL2 SDF SMILES Flexibase

62874851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1-methylimidazol-2-yl)piperidine-3-carboxylic (3R)-3-ethyl-1-(1-methylimidazol…

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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)	1.01	9.48	-35.93	1	5	0	62	237.303	3	↓ MOL2 SDF SMILES Flexibase

62874852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(1-ethylimidazol-2-yl)piperidine-3-carboxylic (3S)-3-ethyl-1-(1-ethylimidazol-…

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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	10.47	-51.73	1	5	0	62	251.33	4	↓ MOL2 SDF SMILES Flexibase

62874853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(1-ethylimidazol-2-yl)piperidine-3-carboxylic (3R)-3-ethyl-1-(1-ethylimidazol-…

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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	10.31	-35.31	1	5	0	62	251.33	4	↓ MOL2 SDF SMILES Flexibase

62875256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-methylimidazol-2-yl)-3-propyl-piperidine-3-carboxylic (3S)-1-(1-methylimidazol-2-yl)-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)	1.57	10.34	-52.33	1	5	0	62	251.33	4	↓ MOL2 SDF SMILES Flexibase

62875257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-methylimidazol-2-yl)-3-propyl-piperidine-3-carboxylic (3R)-1-(1-methylimidazol-2-yl)-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)	1.57	10.24	-35.92	1	5	0	62	251.33	4	↓ MOL2 SDF SMILES Flexibase

62875258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-ethylimidazol-2-yl)-3-propyl-piperidine-3-carboxylic (3S)-1-(1-ethylimidazol-2-yl)-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)	1.95	11.22	-52.27	1	5	0	62	265.357	5	↓ MOL2 SDF SMILES Flexibase

62875259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-ethylimidazol-2-yl)-3-propyl-piperidine-3-carboxylic (3R)-1-(1-ethylimidazol-2-yl)-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)	1.95	11.08	-35.28	1	5	0	62	265.357	5	↓ MOL2 SDF SMILES Flexibase

69720483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-methyl-1-(1-methylimidazol-2-yl)piperidin-3-amine (3R,4R)-4-methyl-1-(1-methylimid…

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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	5.54	-90.54	4	4	2	50	196.298	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	5.66	-23.9	3	4	1	48	195.29	1	↓ MOL2 SDF SMILES Flexibase

69720486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-methyl-1-(1-methylimidazol-2-yl)piperidin-3-amine (3R,4S)-4-methyl-1-(1-methylimid…

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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	5.76	-90.73	4	4	2	50	196.298	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	5.46	-25.79	3	4	1	48	195.29	1	↓ MOL2 SDF SMILES Flexibase

69720577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-1-(1-ethylimidazol-2-yl)-4-methyl-piperidin-3-amine (3S,4S)-1-(1-ethylimidazol-2-yl)…

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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	6.38	-90.27	4	4	2	50	210.325	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.54	6.7	-26.1	3	4	1	48	209.317	2	↓ MOL2 SDF SMILES Flexibase

69720579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-1-(1-ethylimidazol-2-yl)-4-methyl-piperidin-3-amine (3S,4R)-1-(1-ethylimidazol-2-yl)…

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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	6.61	-90.46	4	4	2	50	210.325	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.54	6.34	-25.91	3	4	1	48	209.317	2	↓ MOL2 SDF SMILES Flexibase

69723587

Analogs

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Popular Name: [(2R,6R)-6-methyl-1-(1-methylimidazol-2-yl)-2-piperidyl]methanamine [(2R,6R)-6-methyl-1-(1-methylimi…

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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	4.35	-94.7	4	4	2	50	210.325	2	↓ MOL2 SDF SMILES Flexibase

69723589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6S)-6-methyl-1-(1-methylimidazol-2-yl)-2-piperidyl]methanamine [(2R,6S)-6-methyl-1-(1-methylimi…

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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	5.28	-94.85	4	4	2	50	210.325	2	↓ MOL2 SDF SMILES Flexibase

69723591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-6-methyl-1-(1-methylimidazol-2-yl)-2-piperidyl]methanamine [(2S,6R)-6-methyl-1-(1-methylimi…

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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	5.35	-94.66	4	4	2	50	210.325	2	↓ MOL2 SDF SMILES Flexibase

69723593

Analogs

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Popular Name: [(2S,6S)-6-methyl-1-(1-methylimidazol-2-yl)-2-piperidyl]methanamine [(2S,6S)-6-methyl-1-(1-methylimi…

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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	4.3	-94.57	4	4	2	50	210.325	2	↓ MOL2 SDF SMILES Flexibase

69723697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-1-(1-ethylimidazol-2-yl)-6-methyl-2-piperidyl]methanamine [(2R,6R)-1-(1-ethylimidazol-2-yl…

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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)	0.82	5.19	-95.08	4	4	2	50	224.352	3	↓ MOL2 SDF SMILES Flexibase

69723700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6S)-1-(1-ethylimidazol-2-yl)-6-methyl-2-piperidyl]methanamine [(2R,6S)-1-(1-ethylimidazol-2-yl…

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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)	0.82	5.93	-95.22	4	4	2	50	224.352	3	↓ MOL2 SDF SMILES Flexibase

69727341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-(1-ethylimidazol-2-yl)-3-methyl-2-piperidyl]methanamine [(2R,3S)-1-(1-ethylimidazol-2-yl…

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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)	0.73	6.17	-95.33	4	4	2	50	224.352	3	↓ MOL2 SDF SMILES Flexibase

69727344

Analogs

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Popular Name: [(2R,3R)-1-(1-ethylimidazol-2-yl)-3-methyl-2-piperidyl]methanamine [(2R,3R)-1-(1-ethylimidazol-2-yl…

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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)	0.73	6.42	-98.09	4	4	2	50	224.352	3	↓ MOL2 SDF SMILES Flexibase

69727463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,3R)-3-methyl-1-(1-methylimidazol-2-yl)-2-piperidyl]methanamine [(2S,3R)-3-methyl-1-(1-methylimi…

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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)	0.36	5.36	-94.87	4	4	2	50	210.325	2	↓ MOL2 SDF SMILES Flexibase

69727467

Analogs

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Popular Name: [(2S,3S)-3-methyl-1-(1-methylimidazol-2-yl)-2-piperidyl]methanamine [(2S,3S)-3-methyl-1-(1-methylimi…

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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)	0.36	5.65	-97.28	4	4	2	50	210.325	2	↓ MOL2 SDF SMILES Flexibase

69730686

Analogs

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Popular Name: N-methyl-2-[1-(1-methylimidazol-2-yl)-4-piperidyl]ethanamine N-methyl-2-[1-(1-methylimidazol-…

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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	8.36	-76.37	3	4	2	39	224.352	4	↓ MOL2 SDF SMILES Flexibase

69731298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2S)-1-(1-methylimidazol-2-yl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(1-methylimid…

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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	7.21	-86.39	3	4	2	39	224.352	4	↓ MOL2 SDF SMILES Flexibase

69731300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2R)-1-(1-methylimidazol-2-yl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(1-methylimid…

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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	7.22	-86.52	3	4	2	39	224.352	4	↓ MOL2 SDF SMILES Flexibase

69906732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-piperidyl)-1H-imidazole-4-carbaldehyde 2-(1-piperidyl)-1H-imidazole-4-c…

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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)	1.29	5.97	-15.72	1	4	0	49	179.223	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.29	6.33	-31.19	2	4	1	50	180.231	2	↓ MOL2 SDF SMILES Flexibase

70190192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(1-ethylimidazol-2-yl)-4-piperidyl]-N-methyl-ethanamine 2-[1-(1-ethylimidazol-2-yl)-4-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)	1.80	9.21	-76.17	3	4	2	39	238.379	5	↓ MOL2 SDF SMILES Flexibase

70194027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(1-ethylimidazol-2-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(1-ethylimidazol-2-yl)…

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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)	1.74	8.09	-86.67	3	4	2	39	238.379	5	↓ MOL2 SDF SMILES Flexibase

70194030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(1-ethylimidazol-2-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(1-ethylimidazol-2-yl)…

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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)	1.74	7.98	-86.5	3	4	2	39	238.379	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 109338
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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