UCSF

ZINC52827175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: 6-[[(2R)-2-benzylpyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[(2R)-2-benzylpyrrolidin-1-yl…

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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) 1.64 7.69 -10.7 1 6 0 67 323.4 4 ↓
Mid Mid (pH 6-8) 2.09 7.12 -45.13 1 6 0 71 323.4 4 ↓
Mid Mid (pH 6-8) 1.64 9.55 -49.15 2 6 1 68 324.408 4 ↓

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

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