UCSF

ZINC52832432

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Popular Name: 6-[[[(1R)-1-(2-chlorophenyl)ethyl]-methyl-amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[[(1R)-1-(2-chlorophenyl)ethy…

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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) 2.03 8.76 -49.63 2 6 1 68 332.815 4 ↓
Mid Mid (pH 6-8) 2.03 7.09 -9.94 1 6 0 67 331.807 4 ↓
Mid Mid (pH 6-8) 2.49 6.1 -40.04 1 6 0 71 331.807 4 ↓

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

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