chemaxoncalcaccsites
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| chemaxoncalcaccsites [2012/10/11 23:13] – created rkiss | chemaxoncalcaccsites [2012/10/15 09:17] (current) – rkiss | ||
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| ====== ChemAxon H-bond acceptor sites calculator ====== | ====== ChemAxon H-bond acceptor sites calculator ====== | ||
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| + | {{: | ||
| 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.1349997232.txt.gz · Last modified: by rkiss