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)	2.36	6.29	-80.98	5	5	2	74	310.401	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.36	3.75	-32.18	4	5	1	72	309.393	4	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80064-8-O	CCRF-CEM (T-cell Leukemia) (cluster #8 Of 9), Other	Other	120	0.42	Functional ≤ 10μM
Z80152-1-O	HCT-8 (Ileocecal Adenocarcinoma) (cluster #1 Of 2), Other	Other	66	0.44	Functional ≤ 10μM
Z80166-4-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other	Other	140	0.42	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	15	0.48	Functional ≤ 10μM
Z80362-3-O	P388 (Lymphoma Cells) (cluster #3 Of 8), Other	Other	8	0.49	Functional ≤ 10μM
Z81072-6-O	Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other	Other	27	0.46	Functional ≤ 10μM
Z81167-1-O	LLTC Cell Line (cluster #1 Of 1), Other	Other	5	0.51	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80064	Z80064	CCRF-CEM (T-cell Leukemia)	120	0.42	Functional ≤ 10μM
Z80152	Z80152	HCT-8 (Ileocecal Adenocarcinoma)	55	0.44	Functional ≤ 10μM
Z80166	Z80166	HT-29 (Colon Adenocarcinoma Cells)	140	0.42	Functional ≤ 10μM
Z81072	Z81072	Jurkat (Acute Leukemic T-cells)	27	0.46	Functional ≤ 10μM
Z80193	Z80193	L1210 (Lymphocytic Leukemia Cells)	15	0.48	Functional ≤ 10μM
Z81167	Z81167	LLTC Cell Line	5.3	0.50	Functional ≤ 10μM
Z80362	Z80362	P388 (Lymphoma Cells)	11	0.48	Functional ≤ 10μM