UCSF

ZINC65154530

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 21 Yes

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

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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) 1.86 7.7 -11.76 0 6 0 65 281.319 3 ↓
Lo Low (pH 4.5-6) 1.86 8.16 -34.46 1 6 1 66 282.327 3 ↓

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

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