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)	4.05	17.48	-51.64	2	7	-1	113	418.521	11	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	15.5	-11.67	3	7	0	110	419.529	11	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	17.8	-72.41	3	7	0	114	419.529	11	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	13.3	-12.03	3	7	0	110	419.529	11	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	15.59	-67.86	3	7	0	114	419.529	11	↓ 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	6	0.37	Binding ≤ 10μM
TA2R-1-E	Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	330	0.29	Functional ≤ 10μM
Z50587-1-O	Homo Sapiens (cluster #1 Of 9), Other	Other	3700	0.25	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
THAS_HUMAN	P24557	Thromboxane-A Synthase, Human	6	0.37	Binding ≤ 1μM
THAS_HUMAN	P24557	Thromboxane-A Synthase, Human	6	0.37	Binding ≤ 10μM
Z50587	Z50587	Homo Sapiens	3700	0.25	Functional ≤ 10μM
TA2R_HUMAN	P21731	Thromboxane A2 Receptor, Human	330	0.29	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)