Compound ID | JOH-SUS-a69c159d-6 |
ΔG / kcal M-1 | −9.4 ± 0.1 |
IC50 / µM | TBD |
pIC50 | TBD |
RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1 | MAT-POS-8a69d52e-7_1 | JOH-SUS-a69c159d-6_1 | −1.92 ± 0.10 | ||||||||
RUN5 | MAT-POS-8a69d52e-7_1 | JOH-SUS-a69c159d-6_2 | 0.7 ± 0.2 |