LigandBoxID:D04127

NAME:Dalfampridine;Fampridine;4-Aminopyridine;Neurelan;Ampyra;Fampyra
SMILES: Nc1ccncc1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04127

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C5H6N2 94.117 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 0.5230 -9.1376
LOGS LOGP    
0.2089 0.5864    

Links to the same SMILES compounds

LIGANDBOX C13728 HTS1610-00122620 HTS1610-00122621 KSH2016-00026712 PDB_4AP
CHEMBL CHEMBL284348
ZINC ZINC00599985
PUBCHEM 11629593 12201605 12925214 14571319 151476
164772 1727 18993775 20531474 21021929 21844776
22097686 3609375 3615281 3911117 424362 4400674
444229 44887056 45785353 50910078 50910128 50912465
53436378 54131084 57415063 57425912 57455136 57479415
58916284


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