UCSF

ZINC37239630

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 Yes

Popular Name: 1-[4-(aminomethyl)phenyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-[4-(aminomethyl)phenyl]-5H-pyr…

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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) -0.01 3.74 -61.6 4 6 1 91 242.262 2 ↓
Hi High (pH 8-9.5) 0.45 1.23 -44.32 2 6 -1 93 240.246 2 ↓
Mid Mid (pH 6-8) 0.45 1.63 -81.85 3 6 0 94 241.254 2 ↓

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

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