Prediction for a single compound

This option allows you to get data on lipophilicity, solubility and adsorption for a single compound.

To get the prediction

1. enter the name of a compound or its ID
2. Enter pH values
3. Use check boxes logP, Solubility and Absorption to mark characteristics of compound you want to calculate and number of nearest neighbors for these calculations.
4. If you need to know solubility in mg/l or mol/l mark corresponding items.
5. Press OK or Cancel.





6. The window of Structure Editor will appear and you will need to introduce a needed structure (see Help of Structure Editor)
7. Press OK button in the Structure Editor.
8. The result of calculations will be represented in a separate window. In a left box you can see a structure and in a right box – curves of logP (black line) and logSw (blue line) (if you mark these characteristics in point3.) against pH. Sliding with cursor along pH axe you may watch changing values of logP and logSw in a box above the structure and modification of the structure.

Results can be saved as a *.doc file (button Save as ) or printed (button Print ).

Software - SLIPPER: LogP, LogD, LogSw, FA