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)	3.04	15.92	-51.05	2	7	-1	113	390.467	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.04	16.24	-68.93	3	7	0	114	391.475	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.04	14.03	-64.07	3	7	0	114	391.475	9	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
PUBCHEM_PATENT_ID	US5482948	IBM Patent Data

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
THAS-1-E	Thromboxane-A Synthase (cluster #1 Of 3), Eukaryotic	Eukaryotes	400	0.31	Binding ≤ 10μM
TA2R-1-E	Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	81	0.34	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
THAS_HUMAN	P24557	Thromboxane-A Synthase, Human	400	0.31	Binding ≤ 1μM
THAS_HUMAN	P24557	Thromboxane-A Synthase, Human	400	0.31	Binding ≤ 10μM
TA2R_HUMAN	P21731	Thromboxane A2 Receptor, Human	81	0.34	Functional ≤ 10μM

Description	Species
Eicosanoids	Homo sapiens (THAS_HUMAN)
G alpha (12/13) signalling events	Homo sapiens (TA2R_HUMAN)
G alpha (q) signalling events	Homo sapiens (TA2R_HUMAN)
Prostanoid ligand receptors	Homo sapiens (TA2R_HUMAN)
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)	Homo sapiens (THAS_HUMAN)
Thromboxane signalling through TP receptor	Homo sapiens (TA2R_HUMAN)