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)	3.02	13.17	-123.33	3	9	2	95	453.591	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.84	9.77	-64.06	1	9	0	100	451.575	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.02	8.63	-16.11	1	9	0	92	451.575	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.84	10.12	-39.49	1	9	0	100	451.575	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.02	10.76	-48.92	2	9	1	94	452.583	8	↓ 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	2600	0.24	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	155	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	155	0.29	Binding ≤ 1μM
AA2AR_HUMAN	P29274	Adenosine A2a Receptor, Human	4.4	0.35	Binding ≤ 1μM
AA1R_HUMAN	P30542	Adenosine A1 Receptor, Human	2600	0.24	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	155	0.29	Binding ≤ 10μM
AA2AR_HUMAN	P29274	Adenosine A2a Receptor, Human	4.4	0.35	Binding ≤ 10μM

Description	Species
Adenosine P1 receptors	Homo sapiens (AA2AR_HUMAN) Rattus norvegicus (AA2AR_RAT)
G alpha (i) signalling events	Homo sapiens (AA1R_HUMAN)
G alpha (s) signalling events	Rattus norvegicus (AA2AR_RAT) Homo sapiens (AA2AR_HUMAN)
NGF-independant TRKA activation	Rattus norvegicus (AA2AR_RAT) Homo sapiens (AA2AR_HUMAN)