EN300-1253178_1

molecule

Data

Compound ID EN300-1253178_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
RUN628 MAT-POS-b3e365b9-1_1 molecule EN300-1253178_1_1 molecule −2.2 ± 0.2 work distributions convergence plot
RUN620 MAT-POS-b3e365b9-1_1 molecule EN300-1253178_1_1 molecule −2.0 ± 0.3 work distributions convergence plot
Last updated 2021-01-23T16:06:43.773574+00:00
Generated by fah-xchem version 0.1.0+68.g2513495.dirty