Compound ID | EN300-332714_1 |
ΔG / kcal M-1 | −13.0 ± 0.6 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN354 | MAT-POS-8a69d52e-7_1 | EN300-332714_1_4 | 0.8 ± 0.5 | ||||||||
RUN674 | MAT-POS-8a69d52e-7_1 | EN300-332714_1_1 | 2.4 ± 0.6 |