UCSF

ZINC52830074

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.61 7.88 -44.98 1 6 0 71 337.427 5 ↓
Mid Mid (pH 6-8) 2.15 10.32 -56.15 2 6 1 68 338.435 5 ↓
Mid Mid (pH 6-8) 2.15 8.44 -12.32 1 6 0 67 337.427 5 ↓

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

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