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)	-0.53	-11.99	-21.95	6	11	0	169	390.4	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.53	-11.85	-32.86	7	11	1	170	391.408	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.53	-17.78	-34.1	7	11	1	170	391.408	5	↓ MOL2 SDF SMILES Flexibase

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	100	0.35	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	11	0.40	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.40	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.33	Functional ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.33	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	99.9	0.35	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	11.3	0.40	Binding ≤ 1μM
AA2BR_RAT	P29276	Adenosine A2b Receptor, Rat	11.3	0.40	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	99.9	0.35	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	11.3	0.40	Binding ≤ 10μM
AA2BR_RAT	P29276	Adenosine A2b Receptor, Rat	11.3	0.40	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	300	0.33	Functional ≤ 10μM
AA2BR_RAT	P29276	Adenosine A2b Receptor, Rat	300	0.33	Functional ≤ 10μM

Description	Species
Adenosine P1 receptors	Rattus norvegicus (AA1R_RAT)
G alpha (i) signalling events	Rattus norvegicus (AA1R_RAT)
G alpha (s) signalling events	Rattus norvegicus (AA2AR_RAT)
NGF-independant TRKA activation	Rattus norvegicus (AA2AR_RAT)