UCSF

ZINC69951165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 Yes

Popular Name: 5-[2-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-oxo-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one 5-[2-[4-[(2S)-2-hydroxybutyl]pip…

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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) -0.92 3.29 -21.65 1 9 0 96 348.407 5 ↓
Mid Mid (pH 6-8) -0.92 5.5 -62.78 2 9 1 98 349.415 5 ↓

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

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