JAN-GHE-f4ca5a00-20

molecule

Data

Compound ID JAN-GHE-f4ca5a00-20
ΔG / kcal M-1 −14.4 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN197 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-20_2 molecule −5.6 ± 0.3 work distributions convergence plot
RUN207 ADA-UCB-6c2cb422-1_1 molecule JAN-GHE-f4ca5a00-20_1 molecule −1.0 ± 0.3 work distributions convergence plot
Last updated 2021-06-15T23:25:33.503334+00:00
Generated by fah-xchem version pre-sprint-5+73.g81e3639.dirty