By chemical database software I mean software with similar functionalities to Instant JChem in that they have a large database of different compounds and have the basic capabilities you, or at least I expect from a chemistry software. Namely:
- Can approximate the chemical and physical characteristics of the compounds in question.
- Can approximate products of reactants and their corresponding proportions.
- Can show the 2d and 3d structure of compounds in the database.
- Can connect to online chemical databases like PubChem, ChemSpider, NCBI, etc.
- Has a molecule editor.
I would also prefer it if it is free of charge.
Answer
A widely used database in academia and industry is ChemACX.The only one of your requirements that I don't believe it does is the product prediction.
http://www.cambridgesoft.com/Ensemble_for_Chemistry/ChemACX/Default.aspx
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