UCSF

ZINC63727905

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 25 Yes

Popular Name: 2-(diethylamino)-N-[4-(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]acetamide 2-(diethylamino)-N-[4-(4-oxo-5H-…

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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) 1.14 7.47 -53.43 3 8 1 97 341.395 6 ↓
Hi High (pH 8-9.5) 1.41 4.4 -76.49 1 8 -1 107 339.379 6 ↓
Mid Mid (pH 6-8) 1.59 5.37 -73.54 2 8 0 100 340.387 6 ↓

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

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