Table 7.

Summary of aggregator advisor results and medicinal alerts for selected 15 virtual hits.

Virtual Hits	Aggregator Likelihood					Medicinal Chemistry
	LogP	TC	Structure of Similar Compound	Comments	SAS	PAINS	Brenk
ZINC06137783	4.4	-	-	Not similar to any known aggregator in in-house database.	5.13	No alerts	No alerts
ZINC04259062	3.0	-	-	Not similar to any known aggregator in in-house database.	4.82	No alerts	No alerts
ZINC03841413	2.3	-	-	Has not been previously reported as an aggregator, or to be similar to an aggregator.	5.00	No alerts	No alerts
ZINC04277683	3.1	-	-	Not similar to any known aggregator in in-house database.	4.80	No alerts	No alerts
ZINC04259056	3.3	-	-	Not similar to any known aggregator in in-house database.	4.82	No alerts	No alerts
ZINC04259064	1.9	-	-	Has not been previously reported as an aggregator, or to be similar to an aggregator.	4.83	No alerts	No alerts
ZINC05535232	3.5	-	-	Not similar to any known aggregator in in-house database.	4.51	No alerts	No alerts
ZINC04237088	4.1	-	-	Not similar to any known aggregator in in-house database.	4.68	No alerts	No alerts
ZINC13733603	4.7	-	-	Not similar to any known aggregator in in-house database.	4.28	No alerts	No alerts
ZINC41585804	4.9	72%		Reported as a colloidal aggregator.	3.82	Undesirable alerts	No alerts
ZINC00004749	2.4	78%		Reported as a colloidal aggregator.	3.82	Undesirable alerts	No alerts
ZINC02093367	6.0	71%		Reported as a colloidal aggregator.	3.94	No alerts	Undesirable alerts
ZINC30731533	1.5	100%		Reported as a colloidal aggregator.	4.92	No alerts	No alerts
ZINC00968072	2.5	-	-	Has not been previously reported as an aggregator, or to be similar to an aggregator.	3.07	Undesirable alerts	Undesirable alerts
ZINC13722309	3.0	-	-	Not similar to any known aggregator in in-house database.	4.87	No alerts	No alerts