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)
