UCSF

ZINC65314456

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 30 Yes

Popular Name: N-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide N-(5-methoxy-[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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 8.35 -17.42 2 8 0 101 421.379 7 ↓
Hi High (pH 8-9.5) 2.57 7.8 -63.58 1 8 -1 104 420.371 8 ↓

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Rings

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

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