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chemaxoncalctau [2012/10/12 01:12]
rkiss created
chemaxoncalctau [2012/10/15 11:16]
rkiss
Line 1: Line 1:
 ====== ChemAxon Tautomers calculator ====== ====== ChemAxon Tautomers calculator ======
 +
 +{{:​tau.png?​800|}}
  
 Number of tautomers at the given pH Number of tautomers at the given pH
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 ==== Options ==== ==== Options ====
  
 +== Dominant tautomers ==
  
-Dominant tautomers 
 Takes dominant tautomers only Takes dominant tautomers only
  
-Rational tautomers+== Rational tautomers ​== 
 Takes rational tautomers only. Only effective when Dominant tautomers are selected. Takes rational tautomers only. Only effective when Dominant tautomers are selected.
  
-pH+== pH == 
 Considers pH effect at the given pH (blank: doesn’t consider pH effect) Considers pH effect at the given pH (blank: doesn’t consider pH effect)
  
-Path length+== Path length ​== 
 Maximum allowed length of the tautomerization path in chemical bonds Maximum allowed length of the tautomerization path in chemical bonds
  
-Protect aromaticity+== Protect aromaticity ​== 
 Calculated number of tautomers by retaining input aromatic system Calculated number of tautomers by retaining input aromatic system
  
-Protect charge+== Protect charge ​== 
 Calculated number of tautomers by retaining input charges Calculated number of tautomers by retaining input charges
  
-Protect double bond stereo+== Protect double bond stereo ​== 
 Calculated number of tautomers by retaining input double bond stereo configurations Calculated number of tautomers by retaining input double bond stereo configurations
  
-Protect all tetrahedral centers+== Protect all tetrahedral centers ​== 
 Generate tautomers by retaining all input tetrahedral configurations Generate tautomers by retaining all input tetrahedral configurations
  
-Protect labeled tetrahedral centers+== Protect labeled tetrahedral centers ​== 
 Generate tautomers by retaining labeled input tetrahedral configurations Generate tautomers by retaining labeled input tetrahedral configurations
  
-Protect ester groups+== Protect ester groups ​== 
 Generate tautomers by retaining ester groups Generate tautomers by retaining ester groups
  
-Exclude antiaromatic compounds+== Exclude antiaromatic compounds ​== 
 Generate tautomers by excluding antiaromatic compounds Generate tautomers by excluding antiaromatic compounds
  
-Filter out symmetrical structures+== Filter out symmetrical structures ​== 
 Generate tautomers by filtering out symmetrical structures Generate tautomers by filtering out symmetrical structures
chemaxoncalctau.txt · Last modified: 2012/10/15 11:16 by rkiss