UCSF

ZINC40076708

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 No

Popular Name: (2R)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-(4-chlorobenzoyl)-4-hydroxy-1-(2-hydroxyethyl)-2H-pyrr (2R)-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) 2.73 3.01 -59.92 2 7 -1 110 481.706 6 ↓
Hi High (pH 8-9.5) 2.73 3.92 -114.77 1 7 -2 113 480.698 6 ↓
Lo Low (pH 4.5-6) 2.73 2.26 -17.7 3 7 0 107 482.714 6 ↓

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