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)	1.00	-9.08	-18.9	5	10	0	148	374.401	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.00	-8.95	-30.43	6	10	1	150	375.409	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.00	-14.61	-29	6	10	1	150	375.409	4	↓ 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	41	0.38	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	62	0.37	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	62	0.37	Binding ≤ 10μM
AA1R-1-E	Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2700	0.29	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	33	0.39	Binding ≤ 1μM
AA2AR_HUMAN	P29274	Adenosine A2a Receptor, Human	12.6	0.41	Binding ≤ 1μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	12.6	0.41	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	33	0.39	Binding ≤ 10μM
AA2AR_HUMAN	P29274	Adenosine A2a Receptor, Human	12.6	0.41	Binding ≤ 10μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	12.6	0.41	Binding ≤ 10μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	1620	0.30	Functional ≤ 10μM

Description	Species
Adenosine P1 receptors	Rattus norvegicus (AA1R_RAT) Homo sapiens (AA2AR_HUMAN)
G alpha (i) signalling events	Rattus norvegicus (AA1R_RAT)
G alpha (s) signalling events	Homo sapiens (AA2AR_HUMAN)
NGF-independant TRKA activation	Homo sapiens (AA2AR_HUMAN)