Compound ID | EN300-22879_2 |
ΔG / kcal M-1 | −13.3 ± 0.3 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1258 | MAT-POS-8a69d52e-7_1 | EN300-22879_2_2 | −1.2 ± 0.4 | ||||||||
RUN1562 | MAT-POS-8a69d52e-7_1 | EN300-22879_2_1 | −1.0 ± 0.6 |