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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

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BMC Complementary Medicine and Therapies

ISSN: 2662-7671

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