UCSF

ZINC49539712

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 32 No

Popular Name: 2-[[5-(4-ethoxyphenyl)-4-imino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-1-[(2S)-2-ethyl-1 2-[[5-(4-ethoxyphenyl)-4-imino-3…

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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 11.34 -32.31 3 8 1 101 455.608 7 ↓
Mid Mid (pH 6-8) 2.40 11.32 -12.08 2 8 0 100 454.6 7 ↓
Mid Mid (pH 6-8) 2.40 11.34 -13.09 2 8 0 100 454.6 7 ↓
Mid Mid (pH 6-8) 2.40 11.24 -10.32 2 8 0 100 454.6 7 ↓
Mid Mid (pH 6-8) 2.40 11.26 -10.52 2 8 0 100 454.6 7 ↓
Mid Mid (pH 6-8) 0.35 11.19 -28.67 3 8 1 101 455.608 7 ↓

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