UCSF

ZINC49539729

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-2-[[5-(4-ethoxyphenyl)-4-imino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-1-morpholino (2S)-2-[[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) -0.71 8.89 -34.27 3 9 1 110 457.58 7 ↓
Mid Mid (pH 6-8) 1.34 8.85 -16.37 2 9 0 109 456.572 7 ↓

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

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