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)	-0.97	-1.27	-15	4	7	0	110	209.209	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.97	-5.39	-36.69	5	7	1	111	210.217	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.97	-0.9	-38.73	5	7	1	111	210.217	3	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
biological_use	Antiviral agent	ZereneX Building Blocks
mp	202 - 203	MolMall (formerly Molecular Diversity Preservation International)
biological_use	Antiviral agent	IBScreen Bioactives
mechanism	S-Adenosyl-L-homocysteine	ZereneX Building Blocks
mechanism	S-Adenosyl-L-homocysteine hydrolase inhibitor	IBScreen Bioactives

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	8500	0.47	Binding ≤ 10μM
SAHH-1-E	Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	280	0.61	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
SAHH_HUMAN	P23526	Adenosylhomocysteinase, Human	280	0.61	Binding ≤ 1μM
AA2AR_HUMAN	P29274	Adenosine A2a Receptor, Human	8500	0.47	Binding ≤ 10μM
SAHH_HUMAN	P23526	Adenosylhomocysteinase, Human	280	0.61	Binding ≤ 10μM

Description	Species
Adenosine P1 receptors	Homo sapiens (AA2AR_HUMAN)
G alpha (s) signalling events	Homo sapiens (AA2AR_HUMAN)
Methylation	Homo sapiens (SAHH_HUMAN)
NGF-independant TRKA activation	Homo sapiens (AA2AR_HUMAN)
Sulfur amino acid metabolism	Homo sapiens (SAHH_HUMAN)