Table 8.

Docking scores, LogP, and LogS values for optimized compounds and parent zinc database inhibitors.

Compound	Highest Docking Score −log10(Kd)	LogP	LogS
FL30	13.98	1.62	−4.27
FL20	13.17	1.44	−3.76
FL29	12.98	4.39	−5.51
FL28	12.98	1.62	−4.01
FL23	12.96	4.25	−5.38
FL26	12.67	4.35	−5.56
FL16	12.41	0.79	−3.23
FL22	12.32	1.43	−3.72
FL24	12.30	4.23	−5.32
KBH1	11.31	1.96	−5.48
FL05	11.11	0.45	−2.67
FL18	11.09	1.00	−3.56
FL14	10.83	1.15	−3.65
FL09	10.62	0.63	−2.82
FL04	10.60	0.45	−2.64
FL21	10.50	2.00	−3.58
KB01	10.46	0.90	−4.46
FL27	10.44	0.58	−2.87
FL31	10.27	1.39	−3.79
FL15	10.10	1.13	−3.65
FL06	10.05	0.86	−2.91
FL08	9.92	0.11	−2.38
FL07	9.82	0.14	−2.38
FL25	9.42	0.29	−2.84
FL03	9.26	1.26	−3.36
T1J	5.92	2.83	−3.16
SFY	5.42	0.84	−3.03
T47	4.69	1.73	−2.02
K3S	3.80	−0.27	−1.43
T7D	3.47	1.73	−2.02

Bolded compounds are the parent compounds and are shown for comparison.