UCSF

ZINC65534371

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: 2-[4-[1-(2-cyanoethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-N-methyl-acetamide 2-[4-[1-(2-cyanoethyl)pyrazolo[3…

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Vendors

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) -0.73 4.19 -14.35 1 9 0 103 328.38 5 ↓
Lo Low (pH 4.5-6) -0.73 6.34 -49.65 2 9 1 104 329.388 5 ↓

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

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