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)	1.59	8.01	-56.85	4	11	-1	161	512.568	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.59	7.85	-79.99	5	11	0	163	513.576	11	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.59	9.09	-72.71	5	11	0	163	513.576	10	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
PUBCHEM_PATENT_ID	EP0960882A1; WO1999059992A1	IBM Patent Data

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ITA2B-1-E	Integrin Alpha-IIb (cluster #1 Of 1), Eukaryotic	Eukaryotes	2450	0.22	Binding ≤ 10μM
ITB3-1-E	Integrin Beta-3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2450	0.22	Binding ≤ 10μM
Z104292-1-O	Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other	Other	60	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104292	Z104292	Integrin Alpha-V/beta-3	41	0.29	Binding ≤ 1μM
ITA2B_HUMAN	P08514	Integrin Alpha-IIb, Human	2450	0.22	Binding ≤ 10μM
Z104292	Z104292	Integrin Alpha-V/beta-3	41	0.29	Binding ≤ 10μM
ITB3_HUMAN	P05106	Integrin Beta-3, Human	2450	0.22	Binding ≤ 10μM

Description	Species
ECM proteoglycans	Homo sapiens (ITB3_HUMAN)
Elastic fibre formation	Homo sapiens (ITB3_HUMAN)
GRB2:SOS provides linkage to MAPK signaling for Integrins	Homo sapiens (ITB3_HUMAN)
Integrin alphaIIb beta3 signaling	Homo sapiens (ITB3_HUMAN)
Integrin cell surface interactions	Homo sapiens (ITB3_HUMAN)
Molecules associated with elastic fibres	Homo sapiens (ITB3_HUMAN)
p130Cas linkage to MAPK signaling for integrins	Homo sapiens (ITB3_HUMAN)
PECAM1 interactions	Homo sapiens (ITB3_HUMAN)
Platelet degranulation	Homo sapiens (ITB3_HUMAN)
Signal transduction by L1	Homo sapiens (ITB3_HUMAN)
Syndecan interactions	Homo sapiens (ITB3_HUMAN)
VEGFA-VEGFR2 Pathway	Homo sapiens (ITB3_HUMAN)