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Table 2 Solvation free energy (kJ/mol) of betulinic acid in different solvents with SMD

From: Computational investigations of physicochemical, pharmacokinetic, toxicological properties and molecular docking of betulinic acid, a constituent of Corypha taliera (Roxb.) with Phospholipase A2 (PLA2)

Medium (dielectric constant) Solvation free energy (kJ/mol)
Water (78.3) −41.74
DMSO (46.8) −53.80
Acetonitrile (35.7) −66.27
n-Octanol (9.9) − 69.64
Chloroform (4.7) −65.96
Carbon tetrachloride (2.2) −60.13