ZINC 12

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ZINC Item

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61405374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic 6-([1,2,4]triazolo[4,3-a]pyridin…

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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)	2.06	8.45	-60.88	0	6	-1	83	271.281	3	↓ MOL2 SDF SMILES Flexibase

61405376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic 5-chloro-6-([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)	2.66	8.9	-55.3	0	6	-1	83	305.726	3	↓ MOL2 SDF SMILES Flexibase

61405380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-2-carboxylic 3-chloro-6-([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)	3.14	8.84	-74.12	0	6	-1	83	305.726	3	↓ MOL2 SDF SMILES Flexibase

61405386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboxylic 2-chloro-6-([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)	3.36	8.86	-51.78	0	6	-1	83	305.726	3	↓ MOL2 SDF SMILES Flexibase

61405391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-2-carboxylic 6-([1,2,4]triazolo[4,3-a]pyridin…

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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)	2.12	8.46	-76.23	0	6	-1	83	271.281	3	↓ MOL2 SDF SMILES Flexibase

61405416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic 5-bromo-2-([1,2,4]triazolo[4,3-a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	8.95	-49.44	0	6	-1	83	350.177	3	↓ MOL2 SDF SMILES Flexibase

61405445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile 5-amino-2-([1,2,4]triazolo[4,3-a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	6.06	-17.02	2	6	0	93	268.305	2	↓ MOL2 SDF SMILES Flexibase

61405455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridin-3-amine 6-([1,2,4]triazolo[4,3-a]pyridin…

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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)	2.13	5.79	-18.02	2	5	0	69	243.295	2	↓ MOL2 SDF SMILES Flexibase

61405504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridin-3-amine 2-isopropoxy-6-([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)	3.05	6.61	-15.71	2	6	0	78	301.375	4	↓ MOL2 SDF SMILES Flexibase

61405507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridin-3-amine 2-ethoxy-6-([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)	2.69	5.62	-17.12	2	6	0	78	287.348	4	↓ MOL2 SDF SMILES Flexibase

61405509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridin-3-amine 2-propoxy-6-([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)	3.19	6.42	-16.94	2	6	0	78	301.375	5	↓ MOL2 SDF SMILES Flexibase

61405512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridin-3-amine 2-methoxy-6-([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)	2.31	4.67	-16.99	2	6	0	78	273.321	3	↓ MOL2 SDF SMILES Flexibase

61405532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridin-3-amine 5-methyl-6-([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)	2.51	6.36	-18.63	2	5	0	69	257.322	2	↓ MOL2 SDF SMILES Flexibase

61405580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridin-3-amine 5-bromo-2-([1,2,4]triazolo[4,3-a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	6.45	-16.93	2	5	0	69	322.191	2	↓ MOL2 SDF SMILES Flexibase

61405588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxamide 5-amino-2-([1,2,4]triazolo[4,3-a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.88	2.58	-22.81	4	7	0	112	286.32	3	↓ MOL2 SDF SMILES Flexibase

61405592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridin-4-amine 2-([1,2,4]triazolo[4,3-a]pyridin…

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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)	1.51	5.55	-33.09	3	5	1	70	244.303	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.51	5.77	-17.59	2	5	0	69	243.295	2	↓ MOL2 SDF SMILES Flexibase

61406559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile 6-methyl-2-([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)	2.24	8.78	-16.98	0	5	0	67	267.317	2	↓ MOL2 SDF SMILES Flexibase

61406673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxamidine N'-hydroxy-6-methyl-2-([1,2,4]tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	5.58	-20.75	3	7	0	102	300.347	3	↓ MOL2 SDF SMILES Flexibase

61406682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxamidine N'-hydroxy-2-([1,2,4]triazolo[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)	0.75	4.3	-19.01	3	7	0	102	286.32	3	↓ MOL2 SDF SMILES Flexibase

61406686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-hydroxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxamidine N'-hydroxy-6-([1,2,4]triazolo[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)	0.80	4.52	-22.74	3	7	0	102	286.32	3	↓ MOL2 SDF SMILES Flexibase

61406771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxamidine 2-([1,2,4]triazolo[4,3-a]pyridin…

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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	5.37	-47.7	4	6	1	95	271.329	3	↓ MOL2 SDF SMILES Flexibase

61406772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxamidine 6-([1,2,4]triazolo[4,3-a]pyridin…

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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)	0.87	5.75	-45.6	4	6	1	95	271.329	3	↓ MOL2 SDF SMILES Flexibase

61406774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboxamidine 2-([1,2,4]triazolo[4,3-a]pyridin…

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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	5.78	-49.92	4	6	1	95	271.329	3	↓ MOL2 SDF SMILES Flexibase

61406807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxamidine 4,6-dimethyl-2-([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)	1.64	6.36	-46.17	4	6	1	95	299.383	3	↓ MOL2 SDF SMILES Flexibase

61406810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxamidine 6-methyl-2-([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)	0.87	5.96	-47.8	4	6	1	95	285.356	3	↓ MOL2 SDF SMILES Flexibase

61407026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6-chloro-3-nitro-2-pyridyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(6-chloro-3-nitro-2-pyridyl)s…

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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	8.21	-17.73	0	7	0	89	307.722	3	↓ MOL2 SDF SMILES Flexibase

61407059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6-fluoro-2-pyridyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(6-fluoro-2-pyridyl)sulfanyl]…

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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)	2.99	7.85	-21.21	0	4	0	43	246.27	2	↓ MOL2 SDF SMILES Flexibase

61407099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-4-pyridyl]methanamine [2-([1,2,4]triazolo[4,3-a]pyridi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	5.92	-63.91	3	5	1	71	258.33	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.62	5.53	-16.97	2	5	0	69	257.322	3	↓ MOL2 SDF SMILES Flexibase

61407102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridyl]methanamine [6-([1,2,4]triazolo[4,3-a]pyridi…

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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	5.91	-58.88	3	5	1	71	258.33	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	5.5	-17.98	2	5	0	69	257.322	3	↓ MOL2 SDF SMILES Flexibase

61407106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridyl]methanamine [2-([1,2,4]triazolo[4,3-a]pyridi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	5.86	-61.7	3	5	1	71	258.33	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.62	5.42	-18.23	2	5	0	69	257.322	3	↓ MOL2 SDF SMILES Flexibase

61407135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridyl]methanamine [4,6-dimethyl-2-([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)	2.43	6.95	-61.58	3	5	1	71	286.384	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.43	6.55	-18.48	2	5	0	69	285.376	3	↓ MOL2 SDF SMILES Flexibase

61407142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridyl]methanamine [6-methyl-2-([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)	1.67	6.45	-61.85	3	5	1	71	272.357	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	6.01	-18.37	2	5	0	69	271.349	3	↓ MOL2 SDF SMILES Flexibase

61407584

Analogs

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Popular Name: 3-[(5-bromo-2-pyridyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(5-bromo-2-pyridyl)sulfanyl]-…

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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	8.5	-15.99	0	4	0	43	307.176	2	↓ MOL2 SDF SMILES Flexibase

61407587

Analogs

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Popular Name: 3-[(5-bromo-3-nitro-2-pyridyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(5-bromo-3-nitro-2-pyridyl)su…

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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	8.39	-14.83	0	7	0	89	352.173	3	↓ MOL2 SDF SMILES Flexibase

61407589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-bromo-2-pyridyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3-bromo-2-pyridyl)sulfanyl]-…

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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	8.46	-16.01	0	4	0	43	307.176	2	↓ MOL2 SDF SMILES Flexibase

61409340

Analogs

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Popular Name: 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic 6-methyl-2-([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)	2.06	8.94	-55.57	0	6	-1	83	285.308	3	↓ MOL2 SDF SMILES Flexibase

69466509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(6-bromo-2-pyridyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(6-bromo-2-pyridyl)sulfanyl]-…

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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)	3.63	8.4	-18.73	0	4	0	43	307.176	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 214112
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 = 214112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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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