PET-UNK-5ecb6237-1

molecule

Data

Compound ID PET-UNK-5ecb6237-1
ΔG / kcal M-1 −8.8 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1121 ADA-UCB-6c2cb422-1_1 molecule PET-UNK-5ecb6237-1_1 molecule −1.2 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:11:06.748777+00:00
Generated by fah-xchem version pre-sprint-5+114.gd1dd4c5