Table 1.
Physicochemical property | Separate property |
---|---|
Gasteiger partial charge (Electrostatics) |
Positive charge |
Negative charge | |
logS (Solubility and solvation phenomena) |
Positive logS |
Negative logS | |
Crippen-Wildman logP (Hydrophobicity) | Positive logP |
Negative logP | |
Crippen-Wildman Molar Refractivity (Sterics and polarizability) |
Molar refractivity |