UCSF

ZINC40051982

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 34 No

Popular Name: (2S)-3-(4-allyloxy-3-methyl-benzoyl)-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H- (2S)-3-(4-allyloxy-3-methyl-benz…

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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) 2.81 5.51 -61.54 2 8 -1 119 466.51 11 ↓
Lo Low (pH 4.5-6) 2.81 4.76 -17.57 3 8 0 117 467.518 11 ↓

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