UCSF

ZINC54417743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 19 Yes

Popular Name: 6-[(4-hydroxy-1-piperidyl)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(4-hydroxy-1-piperidyl)methyl…

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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) -1.08 0.06 -47.93 2 7 0 91 263.301 2 ↓
Mid Mid (pH 6-8) -1.53 2.69 -57.36 3 7 1 88 264.309 2 ↓
Mid Mid (pH 6-8) -1.53 0.5 -13.65 2 7 0 87 263.301 2 ↓

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

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