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)	4.37	8.95	-7.27	2	2	0	39	248.329	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.37	9.41	-26.07	3	2	1	40	249.337	1	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80354-1-O	OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other	Other	100	0.52	Functional ≤ 10μM
Z80390-1-O	PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other	Other	260	0.49	Functional ≤ 10μM
Z80485-5-O	SK-MEL-28 (Melanoma Cells) (cluster #5 Of 6), Other	Other	180	0.50	Functional ≤ 10μM
Z80682-2-O	A549 (Lung Carcinoma Cells) (cluster #2 Of 11), Other	Other	54	0.54	Functional ≤ 10μM
Z80928-5-O	HCT-116 (Colon Carcinoma Cells) (cluster #5 Of 9), Other	Other	120	0.51	Functional ≤ 10μM
Z81252-3-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other	Other	75	0.52	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80682	Z80682	A549 (Lung Carcinoma Cells)	53.7031796	0.54	Functional ≤ 10μM
Z80928	Z80928	HCT-116 (Colon Carcinoma Cells)	120	0.51	Functional ≤ 10μM
Z81252	Z81252	MDA-MB-231 (Breast Adenocarcinoma Cells)	75	0.52	Functional ≤ 10μM
Z80354	Z80354	OVCAR-3 (Ovarian Adenocarcinoma Cells)	100	0.52	Functional ≤ 10μM
Z80390	Z80390	PC-3 (Prostate Carcinoma Cells)	260	0.49	Functional ≤ 10μM
Z80485	Z80485	SK-MEL-28 (Melanoma Cells)	180	0.50	Functional ≤ 10μM