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)	1.50	3.29	-14.35	1	7	0	85	358.375	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.50	4.21	-53.17	0	7	-1	87	357.367	4	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50677-1-O	Human Immunodeficiency Virus (cluster #1 Of 3), Other	Other	4000	0.30	Functional ≤ 10μM
Z80156-2-O	HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other	Other	0	0.00	Functional ≤ 10μM
Z80186-1-O	K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other	Other	0	0.00	Functional ≤ 10μM
Z80466-1-O	SF268 (cluster #1 Of 4), Other	Other	0	0.00	Functional ≤ 10μM
Z80485-1-O	SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other	Other	0	0.00	Functional ≤ 10μM
Z80493-2-O	SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other	Other	3	0.48	Functional ≤ 10μM
Z81024-1-O	NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other	Other	0	0.00	Functional ≤ 10μM
Z81115-2-O	KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other	Other	0	0.00	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80156	Z80156	HL-60 (Promyeloblast Leukemia Cells)	0.1	0.56	Functional ≤ 10μM
Z50677	Z50677	Human Immunodeficiency Virus	4000	0.30	Functional ≤ 10μM
Z80186	Z80186	K562 (Erythroleukemia Cells)	0.1	0.56	Functional ≤ 10μM
Z81115	Z81115	KB (Squamous Cell Carcinoma)	0.1	0.56	Functional ≤ 10μM
Z81024	Z81024	NCI-H460 (Non-small Cell Lung Carcinoma)	0.1	0.56	Functional ≤ 10μM
Z80466	Z80466	SF268	0.1	0.56	Functional ≤ 10μM
Z80485	Z80485	SK-MEL-28 (Melanoma Cells)	0.1	0.56	Functional ≤ 10μM
Z80493	Z80493	SK-OV-3 (Ovarian Carcinoma Cells)	3.28	0.48	Functional ≤ 10μM