UCSF

ZINC68876941

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 29 Yes

Popular Name: N,N-diisobutyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide N,N-diisobutyl-2-[(4-oxo-1-pheny…

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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) 4.34 9.07 -47.82 0 7 -1 87 412.539 8 ↓
Mid Mid (pH 6-8) 3.88 10.91 -13.94 1 7 0 84 413.547 8 ↓

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

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