Table 3.

Physicochemical properties of compounds with trypanocidal activity

Compd	MW	log D		PSA	Solubility	Exptl PB	Predicted
		Calcd	Exptl	[Å2]	[μm]	[%]	BBB[b]
11	292	3.0	>4	44	200–300	97	+
30	350	3.6	3.0	53	ND	99	+
31	398	4.4	>4	53	ND	98	+
32	368	4.7	3.7	44	ND	99	+

[a] Calcd, calculated; Exptl, experimental (measured); PSA, polar surface area; PB, protein binding.

^[b]Blood–brain barrier (BBB) permeability predicted by StarDrop (http://www.optibrium.com).