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)	0.55	-4.2	-14.13	5	9	0	140	393.141	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.55	-8.25	-26.56	6	9	1	141	394.149	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.55	-3.89	-26.47	6	9	1	141	394.149	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
MP	144	TCI
Purity	95%	Fluorochem
PUBCHEM_PATENT_ID	EP0219876A2; EP0219876B1; EP0429681A1; EP0429681B1; EP0444196A1; EP0444196B1; EP0488336A1; EP0488336B1; EP0601322A2; EP0601322A3; EP0637315A1; EP0637315B1; EP0967220A1; US4956345; US5013829; US5189027; US5270304; US5283327; US5459254; US5593975; US5705491	IBM Patent Data

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4200	0.38	Binding ≤ 10μM
AA3R-2-E	Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic	Eukaryotes	297	0.46	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5400	0.37	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	297	0.46	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	4200	0.38	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	297	0.46	Binding ≤ 10μM
AA2AR_HUMAN	P29274	Adenosine A2a Receptor, Human	5400	0.37	Functional ≤ 10μM

Description	Species
Adenosine P1 receptors	Homo sapiens (AA3R_HUMAN) Rattus norvegicus (AA2AR_RAT)
G alpha (i) signalling events	Homo sapiens (AA3R_HUMAN)
G alpha (s) signalling events	Rattus norvegicus (AA2AR_RAT) Homo sapiens (AA2AR_HUMAN)
NGF-independant TRKA activation	Homo sapiens (AA2AR_HUMAN) Rattus norvegicus (AA2AR_RAT)