UCSF

ZINC67963301

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: (2R)-3-allyl-2-[1-methyl-3-(4-pyridyl)pyrazol-4-yl]-1,2-dihydroquinazolin-4-one (2R)-3-allyl-2-[1-methyl-3-(4-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) 1.55 7.71 -11.89 1 6 0 63 345.406 4 ↓
Lo Low (pH 4.5-6) 1.55 8.17 -49.46 2 6 1 64 346.414 4 ↓

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

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