UCSF

ZINC65519874

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 Yes

Popular Name: 3-[4-[[(1S)-1-(2-pyridyl)ethyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile 3-[4-[[(1S)-1-(2-pyridyl)ethyl]a…

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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) 0.31 7.84 -10.79 1 7 0 92 293.334 5 ↓
Lo Low (pH 4.5-6) 0.31 8.01 -44.25 2 7 1 94 294.342 5 ↓

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

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