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)	-0.45	-0.03	-16.41	5	10	0	148	334.336	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.45	0.23	-38.16	6	10	1	150	335.344	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.45	-4.14	-38.36	6	10	1	150	335.344	3	↓ 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	43	0.43	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	49	0.43	Binding ≤ 10μM
AA3R-2-E	Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic	Eukaryotes	23	0.45	Binding ≤ 10μM
OXGR1-1-E	G Protein-coupled Receptor 80 (cluster #1 Of 1), Eukaryotic	Eukaryotes	88	0.41	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	172	0.39	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	49	0.43	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	23	0.45	Binding ≤ 1μM
OXGR1_RAT	Q6Y1R5	G Protein-coupled Receptor 80, Rat	88	0.41	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	172	0.39	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	49	0.43	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	23	0.45	Binding ≤ 10μM
OXGR1_RAT	Q6Y1R5	G Protein-coupled Receptor 80, Rat	88	0.41	Binding ≤ 10μM

Description	Species
Adenosine P1 receptors	Rattus norvegicus (AA1R_RAT) Homo sapiens (AA3R_HUMAN)
Class A/1 (Rhodopsin-like receptors)	Rattus norvegicus (OXGR1_RAT)
G alpha (i) signalling events	Homo sapiens (AA3R_HUMAN) Rattus norvegicus (AA1R_RAT)
G alpha (s) signalling events	Rattus norvegicus (AA2AR_RAT)
NGF-independant TRKA activation	Rattus norvegicus (AA2AR_RAT)