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    Name

    Definition

    BEI

    p(Ki), p(Kd), or p(IC50)/MW(kiloDa)

    SEI

    p(Ki), p(Kd), or p(IC50)/(PSA/100 Å2)

    NSEI

    NSEI = -log10 Ki/(NPOL) = pKi/NPOL(N,O)

    NBEI

    NBEI= -log10 Ki/(NHEA)= pKi/(NHEA)

    nBEI

    nBEI= -log10[(Ki/NHEA)]

    mBEI

    mBEI=-log10[(Ki/MW)]


    When the plane represents nBEI vs. NSEI (y vs. x), the slope of the lines corresponds to the number of polar atoms (N+O) and the intersect is log10(Number of non-hydrogen atoms). See Viewer tab for more details.

    Session management


    Space Coordinates
    X:
    Y:


    Current Selection

    Name SMILES X Y
    No data selected

    Selected molecule

    Database:
    Target:
    Organism:
    Type:
    Source color
    From PDB:

    Data

    Name SMILES X Y

    Name
    SMILES
    From X To X
    From Y To Y
    Slope (NPOL in NSEI/nBEI graphs)

    User defined subsets

    Here you can find exporting options for your data in the AtlasCBS server.
    Generate a static version of the current map
    Download all the data loaded in the session as a CSV file importable in any spreadsheet software.