LigandBoxID:D10034 | 2D | 3D |
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select 3D conformers: |
SDF file
|
MOL2 file
|
| KEGG_DRUG |
| D10034 |
| MOLECULAR_FORMULA | MOLECULAR_WEIGHT | MOLECULAR_CHARGE | NUM_OF_DONOR |
| C53H88NO19 | 1043.275 | 1 | 4 |
| NUM_OF_ACCEPTOR | NUM_OF_CHIRAL_ATOMS | LUMO | HOMO |
| 19 | 21 | -4.1090 | -10.9230 |
| LOGS | AGGREGATOR_PROBABILITY | CARCINOGENICITY_FN | CARCINOGENICITY_FN_AD |
| -0.301268005E+01 | 0.852329209E-01 | + | 12.9305 |
| LIGANDBOX | D10032 | ||||
| PUBCHEM | 56840638 | 56928189 | 56928191 | 57358381 | 6441094 |