EN300-21009_1

molecule

Data

Compound ID EN300-21009_1
ΔG / kcal M-1 −9.9 ± 0.3
IC50 / µM TBD
pIC50 TBD

Transformations

RUN Initial microstate Final microstate ΔΔG / kcal M-1 Work distributions Convergence
RUN4990 MAT-POS-8a69d52e-7_1 molecule EN300-21009_1_2 molecule −3.7 ± 0.3 work distributions convergence plot
RUN4986 MAT-POS-8a69d52e-7_1 molecule EN300-21009_1_2 molecule −2.9 ± 0.3 work distributions convergence plot
Last updated 2020-11-18T21:49:55.672012+00:00
Generated by fah-xchem version 0.1.0+21.gcd89c25.dirty