UCSF

ZINC40123413

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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)-4-hydroxy-3-(4-methoxy-3-methyl-benzoyl)-1,2-dihydropyrr (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) 2.87 2.84 -57.79 2 7 -1 108 447.261 5 ↓
Hi High (pH 8-9.5) 2.87 3.76 -113.91 1 7 -2 111 446.253 5 ↓
Lo Low (pH 4.5-6) 2.87 2.08 -17.8 3 7 0 105 448.269 5 ↓

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