UCSF

ZINC40125355

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 No

Popular Name: (2S)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(3-fluoro-4-methyl-benzoyl)-4-hydroxy-1,2-dihydropyrro (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) 2.98 3.49 -55.06 2 6 -1 99 435.225 4 ↓
Hi High (pH 8-9.5) 2.98 4.41 -110.79 1 6 -2 102 434.217 4 ↓
Lo Low (pH 4.5-6) 2.98 2.72 -14.79 3 6 0 96 436.233 4 ↓

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