JAN-GHE-83b26c96-6

molecule

Data

Compound ID JAN-GHE-83b26c96-6
ΔG / kcal M-1 −8.7 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN19 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-6_2 molecule 0.0 ± 0.2 work distributions convergence plot
RUN21 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-6_1 molecule 2.6 ± 0.3 work distributions convergence plot
Last updated 2021-07-29T14:18:31.287738+00:00
Generated by fah-xchem version pre-sprint-5+76.g1ae3402.dirty