LigandBoxID:D02076

NAME:Brimonidine tartrate;Alphagan
SMILES: C1CNC(Nc2ccc3nccnc3c2[Br])=N1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02076

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C11H10N5Br 292.140 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.0000 -8.8867
LOGS LOGP    
-3.0227 -1.9930    

Links to the same SMILES compounds

LIGANDBOX C07886 D07540 HTS1610-00120151 HTS1610-00120152
CHEMBL CHEMBL1200389 CHEMBL74283 CHEMBL844
ZINC ZINC00004975 ZINC21303210
PUBCHEM 11236066 131829 19091961 2435 25137926
45038432 54405 56832504 59736263 6917831


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