UCSF

ZINC52828372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 25 Yes

Popular Name: 6-[[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-on 6-[[(2R)-2-[(3-fluorophenyl)meth…

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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) 1.78 6.9 -14.3 1 6 0 67 341.39 4 ↓
Lo Low (pH 4.5-6) 1.78 9.1 -60.61 2 6 1 68 342.398 4 ↓

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

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