EN300-1241327_1

molecule

Data

Compound ID EN300-1241327_1
ΔG / kcal M-1 −9.8 ± 0.2
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN2494 MAT-POS-8a69d52e-7_1 molecule EN300-1241327_1_1 molecule −2.3 ± 0.3 work distributions convergence plot
RUN2501 MAT-POS-8a69d52e-7_1 molecule EN300-1241327_1_1 molecule −2.3 ± 0.3 work distributions convergence plot
Last updated 2020-11-12T04:46:14.189448+00:00
Generated by fah-xchem version 0.1.0+19.ge358ce0.dirty