UCSF

ZINC68881375

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 25 Yes

Popular Name: 4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)-methyl-amino]methyl]benzonitrile 4-[[(1-tert-butyl-4-oxo-5H-pyraz…

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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) 2.83 11.02 -17.66 1 7 0 91 336.399 4 ↓

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

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