UCSF

ZINC58324839

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 Yes

Popular Name: 2-(8-quinolyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide 2-(8-quinolyl)-N-([1,2,4]triazol…

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Download: MOL2 SDF SMILES Flexibase

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) 2.20 9.6 -18.28 1 6 0 75 303.325 2 ↓
Hi High (pH 8-9.5) 2.21 9.14 -66.88 0 6 -1 79 302.317 3 ↓
Lo Low (pH 4.5-6) 2.20 9.96 -34.25 2 6 1 77 304.333 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.