UCSF

ZINC65310771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 27 Yes

Popular Name: 7-(3,5-dimethylanilino)-5-methyl-2-(4-pyridylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 7-(3,5-dimethylanilino)-5-methyl…

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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) 3.24 13.1 -15.05 1 7 0 77 360.421 4 ↓
Lo Low (pH 4.5-6) 3.24 13.56 -39.49 2 7 1 78 361.429 4 ↓

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

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