ERI-UCB-ce40166b-4

molecule

Data

Compound ID ERI-UCB-ce40166b-4
ΔG / kcal M-1 −11.4 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN39 PET-UNK-29afea89-2_1 molecule ERI-UCB-ce40166b-4_1 molecule −4.7 ± 0.2 work distributions convergence plot
Last updated 2021-06-04T18:13:56.580002+00:00
Generated by fah-xchem version 0.1.0+79.gd44a60c.dirty