EN300-113218_1

molecule

Data

Compound ID EN300-113218_1
ΔG / kcal M-1 −11.1 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1572 MAT-POS-b3e365b9-1_1 molecule EN300-113218_1_1 molecule −3.1 ± 0.4 work distributions convergence plot
RUN513 MAT-POS-b3e365b9-1_1 molecule EN300-113218_1_2 molecule −1.6 ± 0.3 work distributions convergence plot
Last updated 2021-01-31T08:14:44.010582+00:00
Generated by fah-xchem version 0.1.0+76.g1a4d290.dirty