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)	2.47	7.75	-72.23	1	8	0	109	451.57	12	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.47	8.22	-51.43	2	8	1	107	452.578	12	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80156-2-O	HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other	Other	390	0.30	Functional ≤ 10μM
Z80166-1-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other	Other	1000	0.28	Functional ≤ 10μM
Z80390-1-O	PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other	Other	740	0.29	Functional ≤ 10μM
Z80493-1-O	SK-OV-3 (Ovarian Carcinoma Cells) (cluster #1 Of 6), Other	Other	760	0.29	Functional ≤ 10μM
Z80640-1-O	786-0 (Renal Carcinoma Cells) (cluster #1 Of 1), Other	Other	590	0.29	Functional ≤ 10μM
Z80928-1-O	HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other	Other	140	0.32	Functional ≤ 10μM
Z81245-1-O	MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other	Other	180	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80640	Z80640	786-0 (Renal Carcinoma Cells)	590	0.29	Functional ≤ 10μM
Z80928	Z80928	HCT-116 (Colon Carcinoma Cells)	140	0.32	Functional ≤ 10μM
Z80156	Z80156	HL-60 (Promyeloblast Leukemia Cells)	390	0.30	Functional ≤ 10μM
Z80166	Z80166	HT-29 (Colon Adenocarcinoma Cells)	1000	0.28	Functional ≤ 10μM
Z81245	Z81245	MDA-MB-435 (Breast Carcinoma Cells)	180	0.31	Functional ≤ 10μM
Z80390	Z80390	PC-3 (Prostate Carcinoma Cells)	740	0.29	Functional ≤ 10μM
Z80493	Z80493	SK-OV-3 (Ovarian Carcinoma Cells)	760	0.29	Functional ≤ 10μM