UCSF

ZINC68881300

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Substance Information

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

Popular Name: 1-(1-tert-butyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-ethyl-piperidine-4-carboxamide 1-(1-tert-butyl-4-oxo-5H-pyrazol…

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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) 1.93 7.71 -18.55 2 8 0 96 346.435 4 ↓

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

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