ALP-POS-e0fe77e5-1

molecule

Data

Compound ID ALP-POS-e0fe77e5-1
ΔG / kcal M-1 −13.2 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN2126 MAT-POS-b3e365b9-1_1 molecule ALP-POS-e0fe77e5-1_1 molecule −4.8 ± 0.2 work distributions convergence plot
RUN2140 MAT-POS-b3e365b9-1_1 molecule ALP-POS-e0fe77e5-1_2 molecule −2.6 ± 0.3 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