ACD/LogD Sol Suite
Die ACD/LogD Sol Suite contains ACD/ChemSketch, ACD/LogD, ACD/LogP DB, ACD/pKa DB, ACD/Sigma and ACD/Solubility.
Available: in our Electronic Library, HCI G 2. Access for ETH members only.
ACD/ChemSketch
Chemical drawing package for structures and reactions, used as starting point for the other ACD software modules. Also glassware can be drawn. For private and educational use, ACD/ChemSketch can be downloaded as freeware.
Current version: 11.0
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ACD/LogD
Predicts octanol-water distribution coefficients (pH-dependent log P) , bioconcentration factors BCF und adsorption coefficients Koc für organic compounds containing one or more ionizable groups.
Current version: 11.0
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ACD/LogP DB
Predicts octanol-water partition coefficients log P for neutral chemical compounds (accuracy of prediction better than 0.2-0.3 log P units). The software provides a database with about 18'400 compounds and their measured values of log P. The database can be trained with own measured values.
Current version : 11.0
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ACD/pKa DB
Predicts acid-base ionization constants pKa of organic compounds in aqueous solution under standard conditions (prediction accuracy better than ±0.5 pKa units ). The software provides a database with about 16'000 compounds and 31'000 measured pKa values. The database can be trained with own measured values.
Current version : 11.0
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ACD/Sigma
Predicts electronic substituent constants σ for selected fragments R of a given molecule. The calculation is called from ChemSketch by using button σ.
Current version: 11.0
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ACD/Solubility DB
Predicts aqueous solubility of organic compounds at any pH and distribution of different ionic forms at different pH. The software provides a data database with about 6'100 compounds and literature values of their solubilities. The database can be trained with own measured values.
Current version: 11.0
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ACD/Name
This program generates an IUPAC name of an organic compound by using its structure as input. It provides explanation and a hypertext version of the IUPAC rules
for organic compounds ("Blue Book"). Cf. IUPAC Nomenclature of Organic Chemistry.
In addition, names in accordance with CAS Index nomenclature can also produced.
Available: in our Electronic Library, HCI G 2. Access for ETH members only.
Current version: 8.0
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Autonom
The names of organic compounds in accordance with the IUPAC rules can be generated by supplying their respective structures. Autonom, which is installed in all CrossFire user stations, may also be installed in your own computer.
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