Software to predict lipophilicity

Stefan Unger sunger at crl.com
Tue May 23 11:59:30 EST 1995


Yes there are several PC/MAC packages that do this.  ChemPlus add-on to 
HyperChem, SciVision's SciLogP and SciLogW and CompuDrug's PrologD, 
PrologP are some that I carry.  If you want more details, please send 
regualr mail address.  Thank you.
PS: You mentioned "secondary or tertiary" structures.  These programs are 
mainly for your standard "organic" compounds, not particularly for 
peptides (if that is what you meant).  If you meant peptides, then there 
are some other packages that might be more suitable, depending upon 
computer platform.

 Ian Musgrave (USER at med.monash.edu.au) 
wrote: : G'Day Netters!

: I was wondering if there is some software out there which will inspect 
: secondary or tertiary structures of molecules and give an idea of their 
: lipophilicty. Real world numbers are not particularly important, but 
: something that could say "structure X is more water soluble than structure Y 
: and much more water soluble than structure Z" would be very helpful.

: TIA and Cheers!
: Ian.Musgrave at med.monash edu.au (Ian Musgrave)




More information about the Bio-soft mailing list