JIN-POS-6dc588a4-16

molecule

Data

Compound ID JIN-POS-6dc588a4-16
ΔG / kcal M-1 −8.5 ± 0.1
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1440 ADA-UCB-6c2cb422-1_1 molecule JIN-POS-6dc588a4-16_1 molecule −1.0 ± 0.1 work distributions convergence plot
Last updated 2021-11-12T06:11:06.748777+00:00
Generated by fah-xchem version pre-sprint-5+114.gd1dd4c5