LigandBoxID:PDB_CH5

NAME:CH5;2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM;GLYCERO-3-PHOSPHOCHOLINE
SMILES: OCC(COP(OCCN(C)(C)C)(=O)O)O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
CH5(PDBeCHEM) CH5(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H20NO6P 257.223 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 1 -1.2684 -8.2487
LOGS LOGP    
1.7896 -5.4950    

Links to the same SMILES compounds

LIGANDBOX C00670 D07349 HTS1610-00736847 HTS1610-00736848
CHEMBL CHEMBL1567463
ZINC ZINC01532714 ZINC12493448
PUBCHEM 11184607 11184608 11234 11305256 16213666
23658392 4152223 439285 50911988 58381695 59514924
657272 71920 71921 823 9951567


[Back to top page]