UCSF

ZINC65310772

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 32 Yes

Popular Name: 2-[[7-(3,5-dimethylanilino)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]methyl]pyrido[1,2-a] 2-[[7-(3,5-dimethylanilino)-5-me…

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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) 3.88 14.67 -24.97 1 9 0 99 427.468 4 ↓
Mid Mid (pH 6-8) 3.88 15.11 -37.64 2 9 1 100 428.476 4 ↓

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Rings

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

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