propertieschemaxon
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propertieschemaxon [2012/10/14 11:25] – rkiss | propertieschemaxon [2012/11/07 16:09] – rkiss | ||
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====== ChemAxon properties ====== | ====== ChemAxon properties ====== | ||
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- | To get access to ChemAxon properties, [[subscriptionpackages|subscribe]] to ChemAxon Properties Access. Note that the Access package option is free for academic users. | ||
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- | You can find more information about ChemAxon Calculator Plugins **[[http:// | ||
**logP:** Logarithm of the octanol/ | **logP:** Logarithm of the octanol/ | ||
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**Aromatic 8-membered rings:** Number of aromatic 8-membered rings | **Aromatic 8-membered rings:** Number of aromatic 8-membered rings | ||
- | **ASA (at pH=7.4):** Total solvent accessible surface area (in Angstrom2) of major microspecies at pH=7.4 | + | **ASA (at pH=7.4):** Total solvent accessible surface area (in Angstrom< |
- | **ASA+ (at pH=7.4):** Solvent accessible surface area (in Angstrom2) of all atoms with positive partial charge of major microspecies at pH=7.4 | + | **ASA+ (at pH=7.4):** Solvent accessible surface area (in Angstrom< |
- | **ASA- (at pH=7.4):** Solvent accessible surface area (in Angstrom2) of all atoms with negative partial charge of major microspecies at pH=7.4 | + | **ASA- (at pH=7.4):** Solvent accessible surface area (in Angstrom< |
- | **ASA_H (at pH=7.4):** Solvent accessible surface area (in Angstrom2) of all hydrophobic (|qi|< | + | **ASA_H (at pH=7.4):** Solvent accessible surface area (in Angstrom< |
- | **ASA_P (at pH=7.4):** Solvent accessible surface area (in Angstrom2) of all polar (|qi|> | + | **ASA_P (at pH=7.4):** Solvent accessible surface area (in Angstrom< |
- | **ASA:** Total solvent accessible surface area (in Angstrom2) | + | **ASA:** Total solvent accessible surface area (in Angstrom< |
- | **ASA+:** Solvent accessible surface area (in Angstrom2) of all atoms with positive partial charge | + | **ASA+:** Solvent accessible surface area (in Angstrom< |
- | **ASA-:** Solvent accessible surface area (in Angstrom2) of all atoms with negative partial charge | + | **ASA-:** Solvent accessible surface area (in Angstrom< |
- | **ASA_H:** Solvent accessible surface area (in Angstrom2) of all hydrophobic (|qi|< | + | **ASA_H:** Solvent accessible surface area (in Angstrom< |
- | **ASA_P:** Solvent accessible surface area (in Angstrom2) of all polar (|qi|> | + | **ASA_P:** Solvent accessible surface area (in Angstrom< |
**Asymmetric atoms:** Number of asymmetric atoms | **Asymmetric atoms:** Number of asymmetric atoms |