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ZINC Item

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65312185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-propyl-1-([1,2,4]triazolo…

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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	9.13	-15.94	1	6	0	63	287.367	4	↓ MOL2 SDF SMILES Flexibase

65312186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-propyl-1-([1,2,4]triazolo…

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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	9.13	-15.97	1	6	0	63	287.367	4	↓ MOL2 SDF SMILES Flexibase

65312283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-3-carboxamide (3R)-1-(5-methyl-[1,2,4]triazolo…

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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	10.2	-16.29	1	6	0	63	301.394	4	↓ MOL2 SDF SMILES Flexibase

65312284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-3-carboxamide (3S)-1-(5-methyl-[1,2,4]triazolo…

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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	10.19	-15.79	1	6	0	63	301.394	4	↓ MOL2 SDF SMILES Flexibase

65312309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-3-carboxamide (3R)-1-(6-chloro-[1,2,4]triazolo…

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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)	2.58	9.62	-12.68	1	6	0	63	321.812	4	↓ MOL2 SDF SMILES Flexibase

65312310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-3-carboxamide (3S)-1-(6-chloro-[1,2,4]triazolo…

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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)	2.58	9.62	-12.68	1	6	0	63	321.812	4	↓ MOL2 SDF SMILES Flexibase

65312315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-methyl-piperidine-3-carboxamide (3R)-1-(6-chloro-[1,2,4]triazolo…

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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)	1.70	8.03	-13.31	1	6	0	63	293.758	2	↓ MOL2 SDF SMILES Flexibase

65312316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-methyl-piperidine-3-carboxamide (3S)-1-(6-chloro-[1,2,4]triazolo…

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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)	1.70	8.03	-13.25	1	6	0	63	293.758	2	↓ MOL2 SDF SMILES Flexibase

65312349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (3R)-N-propyl-1-[6-(trifluoromet…

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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)	2.79	10.09	-12.45	1	6	0	63	355.364	5	↓ MOL2 SDF SMILES Flexibase

65312350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (3S)-N-propyl-1-[6-(trifluoromet…

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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)	2.79	10.09	-12.52	1	6	0	63	355.364	5	↓ MOL2 SDF SMILES Flexibase

65312387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-3-carboxamide (3R)-1-(8-chloro-[1,2,4]triazolo…

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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)	2.58	9.6	-16.19	1	6	0	63	321.812	4	↓ MOL2 SDF SMILES Flexibase

65312388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-3-carboxamide (3S)-1-(8-chloro-[1,2,4]triazolo…

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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)	2.58	9.59	-16.18	1	6	0	63	321.812	4	↓ MOL2 SDF SMILES Flexibase

65312397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-ethoxypropyl)piperidine-3-carboxamide (3R)-1-(8-chloro-[1,2,4]triazolo…

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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)	2.33	9.63	-16.85	1	7	0	72	365.865	7	↓ MOL2 SDF SMILES Flexibase

65312398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-ethoxypropyl)piperidine-3-carboxamide (3S)-1-(8-chloro-[1,2,4]triazolo…

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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)	2.33	9.63	-16.86	1	7	0	72	365.865	7	↓ MOL2 SDF SMILES Flexibase

65312405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide N-propyl-1-([1,2,4]triazolo[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)	1.95	9.15	-20.67	1	6	0	63	287.367	4	↓ MOL2 SDF SMILES Flexibase

65312423

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide N-(2-diethylaminoethyl)-1-([1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	11.02	-53.02	2	7	1	67	345.471	7	↓ MOL2 SDF SMILES Flexibase

65312426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxypropyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide N-(3-ethoxypropyl)-1-([1,2,4]tri…

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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)	1.70	9.18	-20.88	1	7	0	72	331.42	7	↓ MOL2 SDF SMILES Flexibase

65312456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-4-carboxamide 1-(5-methyl-[1,2,4]triazolo[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)	1.78	10.21	-20.96	1	6	0	63	301.394	4	↓ MOL2 SDF SMILES Flexibase

65312465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide N-(2-diethylaminoethyl)-1-(5-met…

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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)	1.68	12.11	-53.61	2	7	1	67	359.498	7	↓ MOL2 SDF SMILES Flexibase

65312467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide N-(3-ethoxypropyl)-1-(5-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)	1.53	10.24	-21.26	1	7	0	72	345.447	7	↓ MOL2 SDF SMILES Flexibase

65312474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-4-carboxamide 1-(6-chloro-[1,2,4]triazolo[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)	2.58	9.64	-16.74	1	6	0	63	321.812	4	↓ MOL2 SDF SMILES Flexibase

65312513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-propyl-piperidine-4-carboxamide 1-(8-chloro-[1,2,4]triazolo[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)	2.58	9.62	-21.63	1	6	0	63	321.812	4	↓ MOL2 SDF SMILES Flexibase

65312518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide 1-(8-chloro-[1,2,4]triazolo[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)	2.33	9.65	-21.89	1	7	0	72	365.865	7	↓ MOL2 SDF SMILES Flexibase

65312570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-isopentyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-isopentyl-1-([1,2,4]triaz…

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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)	2.72	10.41	-15.84	1	6	0	63	315.421	5	↓ MOL2 SDF SMILES Flexibase

65312571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-isopentyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-isopentyl-1-([1,2,4]triaz…

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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)	2.72	10.41	-15.85	1	6	0	63	315.421	5	↓ MOL2 SDF SMILES Flexibase

65312572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-ethyl-1-([1,2,4]triazolo[…

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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)	1.44	8.37	-16.11	1	6	0	63	273.34	3	↓ MOL2 SDF SMILES Flexibase

65312573

Analogs

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Popular Name: (3S)-N-ethyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-ethyl-1-([1,2,4]triazolo[…

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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)	1.44	8.37	-16.1	1	6	0	63	273.34	3	↓ MOL2 SDF SMILES Flexibase

65312574

Analogs

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Popular Name: (3R)-N-isopropyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-isopropyl-1-([1,2,4]triaz…

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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	9.17	-16.12	1	6	0	63	287.367	3	↓ MOL2 SDF SMILES Flexibase

65312575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-isopropyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-isopropyl-1-([1,2,4]triaz…

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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	9.17	-16.02	1	6	0	63	287.367	3	↓ MOL2 SDF SMILES Flexibase

65312582

Analogs

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Popular Name: (3R)-N-butyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-butyl-1-([1,2,4]triazolo[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	9.9	-15.89	1	6	0	63	301.394	5	↓ MOL2 SDF SMILES Flexibase

65312583

Analogs

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Popular Name: (3S)-N-butyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-butyl-1-([1,2,4]triazolo[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	9.9	-15.83	1	6	0	63	301.394	5	↓ MOL2 SDF SMILES Flexibase

65312634

Analogs

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Popular Name: (3R)-N-[3-(dimethylamino)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-[3-(dimethylamino)propyl]…

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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	10.44	-51.19	2	7	1	67	331.444	6	↓ MOL2 SDF SMILES Flexibase

65312635

Analogs

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Popular Name: (3S)-N-[3-(dimethylamino)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-[3-(dimethylamino)propyl]…

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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	10.45	-51.1	2	7	1	67	331.444	6	↓ MOL2 SDF SMILES Flexibase

65312636

Analogs

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Popular Name: (3R)-N-(2-methoxyethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-(2-methoxyethyl)-1-([1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	7.44	-16.08	1	7	0	72	303.366	5	↓ MOL2 SDF SMILES Flexibase

65312637

Analogs

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Popular Name: (3S)-N-(2-methoxyethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-(2-methoxyethyl)-1-([1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.05	7.44	-17.04	1	7	0	72	303.366	5	↓ MOL2 SDF SMILES Flexibase

65312638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-methoxypropyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-(3-methoxypropyl)-1-([1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	8.19	-16.63	1	7	0	72	317.393	6	↓ MOL2 SDF SMILES Flexibase

65312639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-methoxypropyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-(3-methoxypropyl)-1-([1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	8.19	-16.64	1	7	0	72	317.393	6	↓ MOL2 SDF SMILES Flexibase

65312688

Analogs

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Popular Name: (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-isopentyl-piperidine-3-carboxamide (3R)-1-(8-chloro-[1,2,4]triazolo…

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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	10.88	-16.06	1	6	0	63	349.866	5	↓ MOL2 SDF SMILES Flexibase

65312689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-isopentyl-piperidine-3-carboxamide (3S)-1-(8-chloro-[1,2,4]triazolo…

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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	10.88	-16.04	1	6	0	63	349.866	5	↓ MOL2 SDF SMILES Flexibase

65312690

Analogs

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Popular Name: (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-isopropyl-piperidine-3-carboxamide (3R)-1-(8-chloro-[1,2,4]triazolo…

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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)	2.37	9.64	-16.34	1	6	0	63	321.812	3	↓ MOL2 SDF SMILES Flexibase

65312691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-isopropyl-piperidine-3-carboxamide (3S)-1-(8-chloro-[1,2,4]triazolo…

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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)	2.37	9.64	-16.18	1	6	0	63	321.812	3	↓ MOL2 SDF SMILES Flexibase

65312696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-isobutyl-piperidine-3-carboxamide (3R)-1-(8-chloro-[1,2,4]triazolo…

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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)	2.82	10.36	-15.99	1	6	0	63	335.839	4	↓ MOL2 SDF SMILES Flexibase

65312697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-isobutyl-piperidine-3-carboxamide (3S)-1-(8-chloro-[1,2,4]triazolo…

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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)	2.82	10.36	-15.96	1	6	0	63	335.839	4	↓ MOL2 SDF SMILES Flexibase

65312698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-butyl-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3R)-N-butyl-1-(8-chloro-[1,2,4]…

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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)	3.14	10.37	-16.05	1	6	0	63	335.839	5	↓ MOL2 SDF SMILES Flexibase

65312699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-butyl-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (3S)-N-butyl-1-(8-chloro-[1,2,4]…

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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)	3.14	10.37	-16.1	1	6	0	63	335.839	5	↓ MOL2 SDF SMILES Flexibase

65312740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (3R)-1-(8-chloro-[1,2,4]triazolo…

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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)	1.68	7.91	-16.26	1	7	0	72	337.811	5	↓ MOL2 SDF SMILES Flexibase

65312741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-(8-chloro-[1,2,4]triazolo…

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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)	1.68	7.91	-17.27	1	7	0	72	337.811	5	↓ MOL2 SDF SMILES Flexibase

65312742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide (3R)-1-(8-chloro-[1,2,4]triazolo…

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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	8.66	-16.93	1	7	0	72	351.838	6	↓ MOL2 SDF SMILES Flexibase

65312743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide (3S)-1-(8-chloro-[1,2,4]triazolo…

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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	8.66	-16.92	1	7	0	72	351.838	6	↓ MOL2 SDF SMILES Flexibase

65312754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N,N-dimethyl-piperidine-3-carboxamide (3R)-1-(8-chloro-[1,2,4]triazolo…

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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)	1.50	9.71	-15.9	0	6	0	54	307.785	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 384337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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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