UCSF

ZINC40125623

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(3-ethoxybenzoyl)-4-hydroxy-1,2-dihydropyrrol-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) 2.85 3.01 -60.06 2 7 -1 108 447.261 6 ↓
Hi High (pH 8-9.5) 2.85 3.92 -116.96 1 7 -2 111 446.253 6 ↓
Lo Low (pH 4.5-6) 2.85 2.23 -19.37 3 7 0 105 448.269 6 ↓

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