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)	3.47	6.79	-12.04	1	3	0	50	238.242	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.47	7.78	-58.4	0	3	-1	53	237.234	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
M.P.	155-156 C	Indofine
MP	155-156o C	Indofine
Melting_Point	156-160?	Alfa-Aesar
Melting_Point	156-160°	Alfa-Aesar
MP	159	TCI
SOLUBILITY	Clear solution in Methanol or Acetone	Indofine
SOLUBILITY	Soluble in Methanol or acetone	Indofine
APPEARANCE	Yellow crystalline material	Indofine

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	2170	0.44	Binding ≤ 10μM
AA2AR-3-E	Adenosine A2a Receptor (cluster #3 Of 4), Eukaryotic	Eukaryotes	6200	0.41	Binding ≤ 10μM
ANDR-1-E	Androgen Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	300	0.51	Functional ≤ 10μM
Z104301-4-O	GABA-A Receptor; Anion Channel (cluster #4 Of 8), Other	Other	1900	0.44	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	2170	0.44	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	6200	0.41	Binding ≤ 10μM
Z104301	Z104301	GABA-A Receptor; Anion Channel	1900	0.44	Binding ≤ 10μM
ANDR_HUMAN	P10275	Androgen Receptor, Human	300	0.51	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)
Nuclear Receptor transcription pathway	Homo sapiens (ANDR_HUMAN)