EDJ-MED-6864a934-10

molecule

Data

Compound ID EDJ-MED-6864a934-10
ΔG / kcal M-1 −12.5 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN2454 MAT-POS-b3e365b9-1_1 molecule EDJ-MED-6864a934-10_1 molecule −3.7 ± 0.2 work distributions convergence plot
Last updated 2021-01-31T08:31:34.705671+00:00
Generated by fah-xchem version 0.1.0+76.g1a4d290.dirty