Table 1.

Molecular structures of ligands predicted through protonation analysis under physiologic pH (7.4).

Prototype	Structurea	% of micro speciesa	Meet the druggability criteria of the Lipinski rule?b
1		87.09	Yes
2		78.37	Yes
3		78.25	Yes
4		89.04	Yes
5		89.04	Yes
6		87.08	Yes
7		89.04	Yes
8		89.04	Yes
9		89.04	Yes

^a Calculated through Chemicalize web-based resource (https://chemicalize.com/welcome) (Swain, 2012) as the highest percentage of this micro species.

^b (Lipinski, 2004).