UCSF

ZINC65154532

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 26 Yes

Popular Name: 7,8-dimethyl-2-phenethyl-5-(3-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-3-one 7,8-dimethyl-2-phenethyl-5-(3-py…

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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) 3.02 10.94 -11.81 0 6 0 65 345.406 4 ↓
Lo Low (pH 4.5-6) 3.02 11.4 -35.17 1 6 1 66 346.414 4 ↓

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

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