LigandBoxID:D07547

NAME:Buclizine;Buclina
SMILES: CC(c4ccc(CN2CCN(C(c3ccc(cc3)[Cl])c1ccccc1)CC2)cc4)(C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07547

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C28H35N2Cl 435.055 2 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -7.5313 -14.9893
LOGS LOGP    
-7.0671 6.7366    

Links to the same SMILES compounds

LIGANDBOX C07777 D02089
CHEMBL CHEMBL1200403 CHEMBL1201271 CHEMBL1594076
ZINC ZINC19364226 ZINC19364226 ZINC19364226 ZINC19364228 ZINC19364228
ZINC19364228
PUBCHEM 23690943 28145927 28145929 3246096 44153152
50909812 51358257 5351720 57356339 5771541 65463
6729


[Back to top page]