UCSF

ZINC40053557

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 No

Popular Name: (2S)-3-(4-allyloxybenzoyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one (2S)-3-(4-allyloxybenzoyl)-2-(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) 2.36 5.82 -61.02 1 8 -1 108 452.483 11 ↓
Lo Low (pH 4.5-6) 2.36 5.08 -16.9 2 8 0 106 453.491 11 ↓

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