EN300-198515_3

molecule

Data

Compound ID EN300-198515_3
ΔG / kcal M-1 −12.6 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN2121 MAT-POS-b3e365b9-1_1 molecule EN300-198515_3_1 molecule −3.3 ± 0.3 work distributions convergence plot
RUN5494 MAT-POS-b3e365b9-1_1 molecule EN300-198515_3_2 molecule −3.0 ± 0.3 work distributions convergence plot
Last updated 2020-12-25T08:41:47.873883+00:00
Generated by fah-xchem version 0.1.0+49.g341bdd3.dirty