EN300-73772_3

molecule

Data

Compound ID EN300-73772_3
ΔG / kcal M-1 −13.5 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN1839 MAT-POS-8a69d52e-7_1 molecule EN300-73772_3_1 molecule −2.1 ± 0.2 work distributions convergence plot
Last updated 2020-11-11T16:40:54.084452+00:00
Generated by fah-xchem version 0.1.0+19.ge358ce0.dirty