DAR-DIA-23e5a6a0-6
Data
| Compound ID |
DAR-DIA-23e5a6a0-6
|
| ΔG / kcal M-1 |
−8.7
± 0.3
|
| IC50 / µM |
TBD |
| pIC50 |
TBD |
Transformations
| RUN |
Initial microstate |
Final microstate |
ΔΔG / kcal M-1 |
Work distributions |
Convergence |
| RUN163 |
MAT-POS-8a69d52e-7_1
|
|
|
|
DAR-DIA-23e5a6a0-6_1
|
|
0.4
± 0.3
|
|
|
| RUN195 |
MAT-POS-8a69d52e-7_1
|
|
|
|
DAR-DIA-23e5a6a0-6_2
|
|
0.8
± 0.4
|
|
|
Last updated 2020-11-08T15:28:42.086410+00:00