LigandBoxID:PDB_06Y

NAME:06Y;2-phenoxyethanoic acid
SMILES: OC(COc1ccccc1)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
06Y(PDBeCHEM) 06Y(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H7O3 151.141 -1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 3.2600 -4.6378
LOGS LOGP    
-0.9886 1.9414    

Links to the same SMILES compounds

LIGANDBOX C02181 HTS1610-00113269 HTS1610-00136882 KSH2016-00026169 KSH2016-03911300
CHEMBL CHEMBL173521
ZINC ZINC00331715
PUBCHEM 11040955 11620323 169049 17765810 18667269
18667270 19188 19205679 19360858 20083707 20226965
20292434 21284123 21470773 21502088 22229259 23509094
23618064 23663706 23680489 23687423 44153703 44630424
4523333 46863878 5061361 50919452 50921921 50931680
51072106 5245757 53433107 54610102 57352552 57450980
57461229 6330358 6612366 6713375


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