LigandBoxID:D00399

NAME:Valproic acid;Depakene
SMILES: CCCC(C(=O)O)CCC

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00399

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H15O2 143.206 -1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
2 0 7.2388 -4.1854
LOGS LOGP    
-1.8095 2.0435    

Links to the same SMILES compounds

LIGANDBOX C07185 D00304 D00710 D08667 HTS1610-00122659
HTS1610-00122660 HTS1610-00141879 KSH2016-02654812 PDB_2PP
CHEMBL CHEMBL109 CHEMBL433
ZINC ZINC03008621
PUBCHEM 10154225 11643942 12429180 135798 147515
159148 15940218 16727490 16760703 17974588 17974589
18330669 18610567 20056760 203121 20390235 20476150
20835964 20849136 20977595 21116214 21127268 21127409
22210503 22227467 22398202 22981385 22981386 23663956
23681497 23716278 3121 3549980 3714906 379073
46200988 46209522 46209523 46215392 46215393 46215394
46215395 46215396 46215397 46215398 46215399 46832535
46832536 46832537 46832538 46832539 46832540 46832541
46832833 46832834 499162 50897416 50898868 50910302
5150492 54612706 57347929 57348960 57353522 57359306
57506887 6335634 86480 9818208 9860985 9883211
9883916


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