EN300-1627945_1

molecule

Data

Compound ID EN300-1627945_1
ΔG / kcal M-1 −10.4 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1201 MAT-POS-8a69d52e-7_1 molecule EN300-1627945_1_2 molecule −3.6 ± 0.2 work distributions convergence plot
RUN4130 MAT-POS-8a69d52e-7_1 molecule EN300-1627945_1_1 molecule −3.5 ± 0.2 work distributions convergence plot
Last updated 2020-12-04T06:00:16.780455+00:00
Generated by fah-xchem version 0.1.0+45.g486bb14.dirty