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)	-0.24	-0.77	-16.25	5	10	0	148	322.325	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.24	-0.52	-38.02	6	10	1	150	323.333	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.24	-4.93	-34.83	6	10	1	150	323.333	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	3960	0.33	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	550	0.38	Binding ≤ 10μM
AA3R-2-E	Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic	Eukaryotes	44	0.45	Binding ≤ 10μM
OXGR1-1-E	G Protein-coupled Receptor 80 (cluster #1 Of 1), Eukaryotic	Eukaryotes	31	0.46	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	550	0.38	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	44	0.45	Binding ≤ 1μM
OXGR1_RAT	Q6Y1R5	G Protein-coupled Receptor 80, Rat	31	0.46	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	1240	0.36	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	550	0.38	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	44	0.45	Binding ≤ 10μM
OXGR1_RAT	Q6Y1R5	G Protein-coupled Receptor 80, Rat	31	0.46	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)