Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	3.01	-24.47	4	6	0	115	340.331	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.43	3.2	-58.35	4	6	-1	121	339.323	5	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KPCT-3-E	Protein Kinase C Theta (cluster #3 Of 3), Eukaryotic	Eukaryotes	6570	0.29	Binding ≤ 10μM
Q7ZJM1-1-V	Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral	Viruses	700	0.34	Binding ≤ 10μM
Q7ZJM1-1-V	Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral	Viruses	6000	0.29	Binding ≤ 10μM
Z50420-1-O	Trypanosoma Brucei Brucei (cluster #1 Of 7), Other	Other	3400	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Q7ZJM1_9HIV1	Q7ZJM1	Human Immunodeficiency Virus Type 1 Integrase, 9hiv1	700	0.34	Binding ≤ 1μM
Q7ZJM1_9HIV1	Q7ZJM1	Human Immunodeficiency Virus Type 1 Integrase, 9hiv1	700	0.34	Binding ≤ 10μM
KPCT_HUMAN	Q04759	Protein Kinase C Theta, Human	6570	0.29	Binding ≤ 10μM
Z50420	Z50420	Trypanosoma Brucei Brucei	1800	0.32	Functional ≤ 10μM

Description	Species
Apoptotic cleavage of cellular proteins	Homo sapiens (KPCT_HUMAN)
Downstream TCR signaling	Homo sapiens (KPCT_HUMAN)
Effects of PIP2 hydrolysis	Homo sapiens (KPCT_HUMAN)
FCERI mediated NF-kB activation	Homo sapiens (KPCT_HUMAN)
G alpha (z) signalling events	Homo sapiens (KPCT_HUMAN)
Inactivation, recovery and regulation of the phototransduction cascade	Homo sapiens (KPCT_HUMAN)
Netrin-1 signaling	Homo sapiens (KPCT_HUMAN)