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)	-0.30	5.66	-67.97	2	6	-1	98	337.153	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.30	6.58	-56.48	2	6	-1	98	337.153	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.30	6.01	-68.63	3	6	0	99	338.161	5	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ICAM1-1-E	Intercellular Adhesion Molecule-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	750	0.43	Binding ≤ 10μM
ITAL-1-E	Integrin Alpha-L (cluster #1 Of 2), Eukaryotic	Eukaryotes	750	0.43	Binding ≤ 10μM
ITB2-1-E	Integrin Beta-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	750	0.43	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ITB2_HUMAN	P05107	Integrin Beta-2, Human	750	0.43	Binding ≤ 1μM
ICAM1_HUMAN	P05362	Intercellular Adhesion Molecule-1, Human	750	0.43	Binding ≤ 1μM
ITAL_HUMAN	P20701	Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human	750	0.43	Binding ≤ 1μM
ITB2_HUMAN	P05107	Integrin Beta-2, Human	750	0.43	Binding ≤ 10μM
ICAM1_HUMAN	P05362	Intercellular Adhesion Molecule-1, Human	750	0.43	Binding ≤ 10μM
ITAL_HUMAN	P20701	Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human	750	0.43	Binding ≤ 10μM

Description	Species
Cell surface interactions at the vascular wall	Homo sapiens (ITB2_HUMAN)
Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell	Homo sapiens (ITB2_HUMAN)
Integrin cell surface interactions	Homo sapiens (ITB2_HUMAN)
Interferon gamma signaling	Homo sapiens (ICAM1_HUMAN)
Toll Like Receptor 4 (TLR4) Cascade	Homo sapiens (ITB2_HUMAN)