JAN-GHE-83b26c96-7

molecule

Data

Compound ID JAN-GHE-83b26c96-7
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
RUN20 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-7_1 molecule −1.7 ± 0.2 work distributions convergence plot
RUN33 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-83b26c96-7_2 molecule 1.5 ± 0.2 work distributions convergence plot
Last updated 2021-11-12T06:17:11.317694+00:00
Generated by fah-xchem version pre-sprint-5+114.gd1dd4c5