UCSF

ZINC49539615

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 31 No

Popular Name: N-benzyl-2-[[5-(3-chloro-4-methyl-phenyl)-4-imino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl N-benzyl-2-[[5-(3-chloro-4-methy…

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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) 0.35 10.65 -29.3 4 7 1 101 453.979 6 ↓
Mid Mid (pH 6-8) 2.62 10.75 -10.95 3 7 0 99 452.971 6 ↓

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