DAR-DIA-23e5a6a0-2

molecule

Data

Compound ID DAR-DIA-23e5a6a0-2
ΔG / kcal M-1 −10.0 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN81 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-2_1 molecule −0.5 ± 0.4 work distributions convergence plot
RUN88 MAT-POS-b3e365b9-1_1 molecule DAR-DIA-23e5a6a0-2_2 molecule 0.3 ± 0.3 work distributions convergence plot
Last updated 2021-01-29T14:28:41.668428+00:00
Generated by fah-xchem version 0+unknown