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chemaxoncalcaccsites [2012/10/11 23:13] – created rkisschemaxoncalcaccsites [2012/10/15 09:17] (current) rkiss
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 ====== ChemAxon H-bond acceptor sites calculator ====== ====== ChemAxon H-bond acceptor sites calculator ======
 +
 +{{:acc_sites.png?800|}}
  
 Number of hydrogen bond acceptor sites Number of hydrogen bond acceptor sites
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 ==== Options ==== ==== Options ====
  
 +== pH ==
  
-pH 
 Calculates the number of hydrogen bond acceptor sites of the major microspecies at the given pH (blank: input protonation state) Calculates the number of hydrogen bond acceptor sites of the major microspecies at the given pH (blank: input protonation state)
  
-Exclude sulphur atom from acceptors+== Exclude sulphur atom from acceptors == 
 Calculates the number of hydrogen bond acceptor sites by excluding sulphur atoms Calculates the number of hydrogen bond acceptor sites by excluding sulphur atoms
  
-Exclude halogens from acceptors+== Exclude halogens from acceptors == 
 Calculates the number of hydrogen bond acceptor sites by excluding halogens Calculates the number of hydrogen bond acceptor sites by excluding halogens
chemaxoncalcaccsites.txt · Last modified: 2012/10/15 09:17 by rkiss