You'll find in this database, about (for the moment)
520 chemical structures (2D and 3D), their formulas, experimental
LogP (octanol-water) values and CAS number. Chemical structures in
3D (MDL format) can be downloaded (by rigth click). If you have MDL
Chime from MDL you can see and manipulate
these structures on your screen.
Chem3D Ultra 8.0 (Cambridgesoft Corporation) and
Alchemy III (Tripos Associates) softwares are used
to obtaine 3D structures. All values in this database are taken from
the litterature and the references are given.
All experimental LogP (octanol-water) values are taken from the litterature
and the references are given.
