LigandBoxID:D04492 | 2D | 3D |
|
|
select 3D conformers: |
SDF file
|
MOL2 file
|
| KEGG_DRUG |
| D04492 |
| MOLECULAR_FORMULA | MOLECULAR_WEIGHT | MOLECULAR_CHARGE | NUM_OF_DONOR |
| C59H92N19O13S | 1307.570 | 3 | 25 |
| NUM_OF_ACCEPTOR | NUM_OF_CHIRAL_ATOMS | LUMO | HOMO |
| 13 | 12 | -8.4900 | -9.0670 |
| LOGS | AGGREGATOR_PROBABILITY | CARCINOGENICITY_FN | CARCINOGENICITY_FN_AD |
| $$$$ | + | 30.6245 |
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