LigandBoxID:D03034

NAME:Azelaic acid;Azelex;Finacea
SMILES: OC(CCCCCCCC(=O)O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03034

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C9H14O4 186.207 -2 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 8.8869 -2.6748
LOGS LOGP    
-1.3428 1.4081    

Links to the same SMILES compounds

LIGANDBOX C08261 HTS1610-00136650 KSH2016-00064416 PDB_AZ1
CHEMBL CHEMBL1238
ZINC ZINC01531036
PUBCHEM 10192802 10919839 111840 11313624 11333937
15404572 159815 16212989 162336 162680 163184
163185 168310 169037 170112 171799 172247
172280 173016 173065 18961560 19068337 19347555
19376873 19376886 19376909 19827267 19833789 20186334
20276863 20334717 20545795 21468474 21811347 22336418
2266 23295435 23615575 23689125 23705101 24880290
3015068 3801344 44144852 44146291 44146896 44147271
44147478 44147935 44148679 44148805 44148860 44149429
44149527 44151342 44151456 44152296 44152394 44153041
44153344 44153917 44154116 44476537 50921691 5242356
53249658 53431204 53467421 56933547 57483130 57485051
6451743 6452649 6453055 6453463 6454506 6454601
6455611 9794275 9882532 9885181 9906361


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