UCSF

ZINC63731736

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Substance Information

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

Popular Name: 2-[[(6R)-5-(4-ethoxyphenyl)-4-imino-3-methyl-6H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-1-[(2R)-2-et 2-[[(6R)-5-(4-ethoxyphenyl)-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) 3.21 7.52 -9.16 1 8 0 95 454.6 7 ↓
Lo Low (pH 4.5-6) 3.21 7.5 -43.46 2 8 1 97 455.608 7 ↓

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

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