MAT-POS-8a69d52e-4

molecule

Data

Compound ID MAT-POS-8a69d52e-4
ΔG / kcal M-1 −10.65 ± 0.06
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN13 MAT-POS-b3e365b9-1_1 molecule MAT-POS-8a69d52e-4_2 molecule −0.89 ± 0.05 work distributions convergence plot
Last updated 2021-01-29T14:28:41.668428+00:00
Generated by fah-xchem version 0+unknown