UCSF

ZINC40078253

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Substance Information

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

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-butyl-4-hydroxy-3-(4-propoxybenzoyl)-2H-pyrrol-5-one (2S)-2-(3-bromo-4-hydroxy-5-meth…

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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) 5.06 8.41 -59.73 1 7 -1 99 517.396 10 ↓
Hi High (pH 8-9.5) 5.06 9.33 -116.44 0 7 -2 102 516.388 10 ↓
Lo Low (pH 4.5-6) 5.06 7.66 -16.38 2 7 0 96 518.404 10 ↓

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