Table 4.

Hydrogen bond energies of phytochemical with water.

Sr. No		HOH 408	HOH 417	HOH 440	HOH 456	HOH 463	HOH 479
	Residue ID	7	16	39	55	62	78
1	(3,3-dimethylally) isoflavone		−4.2	−3.8		−1.8
2	Licoleafol	−2.5	−2.4	6.8	−0.78	−0.4	−2
3	Myricitrin	−1.6	−1.5	7	−0.4	−5
4	Thymoquinone			−1.5		−1.7
5	Salvinorin A		−7.2	−7.3		−3.8	−0.7
6	Bilobalide	−0.5	−2.9	−0.5	2.8	−3	−0.7
7	Citral	−1.2	−3.9	−2.7	−0.5	−4.5	−1.2
8	Ginkgolide A		−1.9	−1.6	−1.1	−1.6
9	Prephenazine	−3.2	−0.9	1.7		−0.4