LigandBoxID:D04931

NAME:Mercaptopurine;Mercaptopurine anhydrous;Purinethol
SMILES: S=C1N=CNC2NCNC21

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04931

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C5H4N4S 152.180 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -1.2025 -8.4047
LOGS LOGP    
-3.7612 1.3137    

Links to the same SMILES compounds

LIGANDBOX C02380 D00161


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