UCSF

ZINC40076032

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 No

Popular Name: (2R)-3-benzoyl-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrrol-5-one (2R)-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) 2.05 2.49 -64.57 2 7 -1 110 447.261 6 ↓
Hi High (pH 8-9.5) 2.05 3.4 -120.91 1 7 -2 113 446.253 6 ↓
Lo Low (pH 4.5-6) 2.05 1.73 -18.8 3 7 0 107 448.269 6 ↓

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