UCSF

ZINC40046992

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 No

Popular Name: (2S)-3-benzoyl-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one (2S)-3-benzoyl-2-(3-bromo-4-hydr…

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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) 2.32 3.61 -63.02 2 7 -1 110 461.288 7 ↓
Hi High (pH 8-9.5) 2.32 4.52 -118.7 1 7 -2 113 460.28 7 ↓
Lo Low (pH 4.5-6) 2.32 2.84 -18.32 3 7 0 107 462.296 7 ↓

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