[Zinc-fans] duplicate compound question

[Walter Novak]

Hi John and zinc-fans,

ZINC 61617 and 5843772 both map to Pubchem compound 54425. Most of the  
calculated properties are identical, but the apolar and polar  
desolvation energies differ. I assume that the higher ZINC number is  
the more recent addition, and therefore more correct. Did the method  
used to calculate the properties change? Just curious.

Best,
Wally

Walter R.P. Novak, Ph.D.
Postdoctoral Fellow
Rosenstiel Basic Medical Research Center
Brandeis University
415 South St. MS 029
Waltham, MA 02454-9110
Phone: (781) 736-4944
Fax: (781) 736-2405