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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-1-(p-tolyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazole-4-carboxamide 5-ethyl-1-(p-tolyl)-N-([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) 3.05 11.37 -15.21 1 7 0 80 346.394 3 ↓
Mid Mid (pH 6-8) 2.94 11.25 -63.13 0 7 -1 83 345.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazole-4-carboxamide 5-ethyl-1-phenyl-N-([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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 10.7 -15.5 1 7 0 80 332.367 3 ↓
Mid Mid (pH 6-8) 2.49 10.58 -63.52 0 7 -1 83 331.359 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-5-isopropyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazole-4-carboxamide 1-(4-fluorophenyl)-5-isopropyl-N…

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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) 3.25 11.19 -12.71 1 7 0 80 364.384 3 ↓
Mid Mid (pH 6-8) 3.14 12.38 -57.56 0 7 -1 83 363.376 4 ↓

Parameters Provided:

ring.id = 581703
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 = 581703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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