LigandBoxID:D02100

NAME:Ziprasidone mesylate;Ziprasidone mesylate hydrate;Geodon
SMILES: O=C2Nc5cc(c(cc5C2)CCN1CCN(c4nsc3ccccc43)CC1)[Cl]

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02100

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H22N4OSCl 413.952 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -3.9085 -11.0738
LOGS LOGP    
$$$$ -0.4904    

Links to the same SMILES compounds

LIGANDBOX C07568 D01939 D08687
ZINC ZINC00538550 ZINC00538550


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