UCSF

ZINC32745186

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 31 Yes

Popular Name: N-methyl-3-[[2-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetyl]amino]benzamide N-methyl-3-[[2-[(4-oxo-1-phenyl-…

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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) 2.71 4.6 -60.15 2 9 -1 125 433.473 6 ↓
Mid Mid (pH 6-8) 2.26 6.55 -26.98 3 9 0 122 434.481 6 ↓
Mid Mid (pH 6-8) 2.26 6 -26.75 3 9 0 122 434.481 6 ↓

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