UCSF

ZINC40078539

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 No

Popular Name: (2S)-3-(4-butoxybenzoyl)-2-(3-ethoxy-4-hydroxy-phenyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (2S)-3-(4-butoxybenzoyl)-2-(3-et…

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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) 2.96 5.07 -57.89 2 8 -1 119 454.499 11 ↓
Lo Low (pH 4.5-6) 2.96 4.32 -14.25 3 8 0 117 455.507 11 ↓

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