Calculates various solvation-associated properties
from Abraham type equations and predicts Abraham's solvation parameters
necessary for those calculations.
Highlights :
- Calculates the following properties of a solute:
H-Bonding acidity parameter -  2H(A)
H-Bonding basicity parameters -  2H(B)
and 20(Bo)
Partitioning coefficient between gaseous phase and hexadecane - LogL16
(L)
Polarity/polarizability parameter -  2H(S)
Excessive molar refraction - R2 (E)
- Visualizes the contributions of each atom in the structure to the currently selected Abraham parameter in terms of color intensity of highlighted atoms.
- Lists up to 5 most similar structures from the Absolv database along
with their experimental values of Abraham parameters and literature
references.
- Calculates various solvent-solvent or gas-solvent partition coefficients
from more than 100 predefined Abraham type equations or any custom
equation of your own using predicted Abraham solvation parameters
of a solute.
- A fully searchable Absolv database lists more than 5000 compounds
providing their names, CAS registry numbers, literature values of
Abraham solvation parameters and references.
 Don't
trust marketing slogans? Click here and cut
to the test.
 Need a user's guide to get started? Click
here to download.
 Want
to build your own high quality predictors? Click
here.
|
