MAT-POS-8a69d52e-1

molecule

Data

Compound ID MAT-POS-8a69d52e-1
ΔG / kcal M-1 −10.34 ± 0.08
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN21 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-1_4 molecule −0.83 ± 0.09 work distributions convergence plot
RUN37 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-1_3 molecule −0.15 ± 0.04 work distributions convergence plot
Last updated 2021-01-29T14:28:41.668428+00:00
Generated by fah-xchem version 0+unknown