LigandBoxID:D01821 | 2D | 3D |
|
|
select 3D conformers: |
SDF file
|
MOL2 file
|
| KEGG_DRUG |
| D01821 |
| MOLECULAR_FORMULA | MOLECULAR_WEIGHT | MOLECULAR_CHARGE | NUM_OF_DONOR |
| C20H46N5O7 | 468.616 | 5 | 16 |
| NUM_OF_ACCEPTOR | NUM_OF_CHIRAL_ATOMS | LUMO | HOMO |
| 7 | 12 | -13.4150 | -21.6810 |
| LOGS | AGGREGATOR_PROBABILITY | CARCINOGENICITY_FN | CARCINOGENICITY_FN_AD |
| 0.419538307E+02 | 0.100968690E-28 | + | 1.9330 |
| LIGANDBOX | C17706 | D08219 | |||
| PUBCHEM | 107677 | 12899622 | 171808 | 3037206 | 3371532 |
| 58857023 | 9807932 | 9807933 | 9963894 | ||