UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-methoxy-3-pyridyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic 3-(2-methoxy-3-pyridyl)-[1,2,4]t…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 5.71 -45 0 7 -1 92 269.24 3 ↓

Analogs

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

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 3.02 -18.03 2 6 0 78 241.254 2 ↓

Analogs

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Popular Name: 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridin-3-amine 5-([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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 4.38 -16.56 2 5 0 69 211.228 1 ↓
Lo Low (pH 4.5-6) 1.44 4.84 -41.63 3 5 1 70 212.236 1 ↓

Analogs

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Popular Name: 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyridin-3-amine 5-[6-(trifluoromethyl)-[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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 5.35 -11.46 2 5 0 69 279.225 2 ↓
Lo Low (pH 4.5-6) 2.29 5.81 -39.43 3 5 1 70 280.233 2 ↓

Analogs

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Popular Name: 5-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyridin-3-amine 5-[8-chloro-6-(trifluoromethyl)-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 5.82 -10.72 2 5 0 69 313.67 2 ↓
Lo Low (pH 4.5-6) 2.89 6.28 -41.46 3 5 1 70 314.678 2 ↓

Parameters Provided:

ring.id = 216815
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 = 216815 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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