LigandBoxID:PDB_AC6

NAME:AC6;P-HYDROXYACETOPHENONE
SMILES: CC(c1ccc(cc1)O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
AC6(PDBeCHEM) AC6(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H8O2 136.150 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 -0.2457 -9.7446
LOGS LOGP    
-1.2370 1.9716    

Links to the same SMILES compounds

LIGANDBOX C10700 HTS1610-00136852 KSH2016-00026974
CHEMBL CHEMBL201083
ZINC ZINC00330136
PUBCHEM 11400796 18342972 18521316 19821091 20375259
22676205 23174738 23681991 54451696 57429516 57437069
60029915 7469


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