Compound ID | MAT-POS-38eb6498-4 |
ΔG / kcal M-1 | −10.7 ± 0.3 |
pIC50 | 7.8 ± 0.2 |
ΔG / kcal M-1 | TBD |
pIC50 | TBD |
IC50 / µM | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1389 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-38eb6498-4_1 |
|
−1.6 ± 0.3 |
![]() |
![]() |
![]() |