LigandBoxID:PDB_BG6

NAME:BG6;BETA-D-GLUCOSE-6-PHOSPHATE
SMILES: OP(OCC1OC(C(C(C1O)O)O)O)(=O)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
BG6(PDBeCHEM) BG6(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C6H11O9P 258.119 -2 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
9 5 6.6492 0.5962
LOGS LOGP    
1.5793 -3.0258    

Links to the same SMILES compounds

LIGANDBOX C00092 C00275 C00668 C01113 C01172
C02962 C02965 C03735 HTS1610-00035361 HTS1610-00035362 HTS1610-00035363
HTS1610-00035364 PDB_A6P PDB_BGP PDB_G6P PDB_M6D PDB_M6P
CHEMBL CHEMBL1159525 CHEMBL257975 CHEMBL402001
ZINC ZINC01529564 ZINC01532857 ZINC03869395 ZINC03869396 ZINC03869397
ZINC03869398 ZINC03875374 ZINC03875375 ZINC04096188 ZINC08551508 ZINC13540027
PUBCHEM 10038266 100858 10332946 10422797 10422798
10848963 11499884 11536233 11651816 11651817 11701643
118026 118160 12314997 12598269 13066931 13066932
16213560 16219406 16219407 16219431 16219438 16219687
16219699 16760468 208 21604864 21604865 22836631
23421197 23421199 23421200 23679009 23702133 24802165
24802166 24802170 24802171 24802172 24802283 25200774
25244236 4178491 42609823 43835016 439198 439284
439404 439427 440100 44134741 44148549 44589902
4459709 44629605 44630312 44630362 447096 449526
45052098 4684972 46936284 51351673 51351674 53384535
53393642 57369832 5958 59630949 59660207 59660208
65127 9817215 9859975


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