Table 3.

Solvation free energy (kcal/mol) decomposition for a set of 21 molecules.

Compound	$\Delta G_{\mathrm{p}}^v$	ΔGp	ΔΔGp	ΔGQM	ABS(ΔGQM/ΔΔGp)
Ethanol	−5.42	−6.33	−0.91	0.61	0.67
Propionamide	−8.84	−12.19	−3.35	2.14	0.64
Phenol	−6.30	−7.88	−1.58	1.01	0.64
Methanethiol	−3.44	−4.29	−0.85	0.50	0.59
Propionic acid	−6.31	−7.73	−1.42	0.87	0.62
Acetamide	−10.13	−14.23	−4.10	2.65	0.65
Acetonitrile	−6.04	−8.23	−2.19	1.36	0.62
Ethanethiol	−3.77	−4.53	−0.76	0.47	0.62
Aniline	−7.52	−9.34	−1.82	1.15	0.63
Acetic acid	−7.01	−8.67	−1.66	1.03	0.62
1-methylcytosine	−14.68	−23.90	−9.22	5.96	0.65
Pyridine	−5.3	−7.61	−2.31	1.49	0.64
9-methyladenine	−13.42	18.50	−5.08	3.17	0.62
1-methyluracil	−10.88	−15.35	−4.47	2.78	0.62
4-cresol	−6.40	−7.94	−1.54	1.00	0.65
4-Methylimidazole	−10.03	−15.88	−5.85	3.84	0.66
Methylethyl sulfide	−3.94	−4.83	−0.89	0.55	0.62
n-Butylamine	−5.96	−7.19	−1.23	0.81	0.66
3-Methylindole	−7.80	−10.40	−2.60	1.66	0.64
Methylamine	−6.10	−7.70	−1.60	1.07	0.67
Benzene	−3.72	−4.69	−0.97	0.52	0.53