UCSF

ZINC33552076

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 28 No

Popular Name: 2-[4-amino-5-(4-ethylphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-butyl-acetamide 2-[4-amino-5-(4-ethylphenyl)-3-m…

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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) 0.25 9.66 -32.6 4 7 1 101 399.544 8 ↓
Mid Mid (pH 6-8) 2.31 9.6 -12.45 3 7 0 99 398.536 8 ↓

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