UCSF

ZINC40054041

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 No

Popular Name: (2S)-3-(3-ethoxybenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(3-hydroxypropyl)-2H-pyrrol-5-on (2S)-3-(3-ethoxybenzoyl)-4-hydro…

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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) 1.76 2.84 -65.26 2 8 -1 119 426.445 9 ↓
Lo Low (pH 4.5-6) 1.76 2.1 -20.92 3 8 0 117 427.453 9 ↓

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