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Fractional area-weighted surface charge of hydrogen bonding acceptor atoms FHASA2

Definition:

HASA2 -  area-weighted surface charge on hydrogen bonding acceptor atoms

TMSA - total molecular surface area

Reference:

  1. D.T. Stanton, P.C. Jurs, Anal. Chem., 1990, 62, 2323; D.T. Stanton, L.M. Egolf, P.C. Jurs, M.G. Hicks, J. Chem. Inf. Comput. Sci., 1992, 32, 306.

 

  
   
 
   
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