UCSF

ZINC66914636

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 26 Yes

Popular Name: (2R)-2-but-3-enoxy-N-[4-(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]propanamide (2R)-2-but-3-enoxy-N-[4-(4-oxo-5…

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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) 1.25 7.71 -21.58 2 8 0 102 353.382 7 ↓
Mid Mid (pH 6-8) 1.71 5.6 -53 1 8 -1 105 352.374 7 ↓

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

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