UCSF

ZINC63731306

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 32 No

Popular Name: N-(4-ethoxyphenyl)-2-[[(6R)-4-imino-3-methyl-5-(o-tolyl)-6H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]a N-(4-ethoxyphenyl)-2-[[(6R)-4-im…

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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) 3.29 7.1 -9.76 2 8 0 104 448.552 7 ↓
Lo Low (pH 4.5-6) 3.29 7.08 -42.79 3 8 1 105 449.56 7 ↓

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

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