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

Table 4 Effect of solvent polarity on polarizability (a.u.) and first order hyperpolarizability (a,u)

Medium (dielectric constant)	α_xx	α_yy	α_zz	α_tot	β_x	β_y	β_z	β_tot
Gas Phase	355.73	300.52	260.89	305.72	103.92	−121.26	−37.58	164.06
Water (78.3)	447.54	459.46	439.01	448.67	154.68	− 170.92	−87.52	246.57
DMSO (46.8)	441.82	450.17	428.25	440.08	132.92	− 155.98	−68.48	216.07
Acetonitrile (35.7)	442.00	448.66	425.71	438.79	130.61	−155.78	−70.89	215.30
n-Octanol (9.9)	434.46	426.93	394.48	418.62	139.39	− 157.93	−74.51	223.43
Chloroform (4.7)	418.61	395.58	356.17	390.12	124.74	− 146.22	−58.57	200.93
Carbon tetrachloride (2.2)	393.70	352.38	309.63	351.90	117.66	− 134.29	−46.43	184.48

ISSN: 2662-7671