MoLSoL на пк

1. A higher TPSA value indicates that a molecule has a larger polar surface area, meaning it has more sites capable of forming hydrogen bonds with water molecules.

2. They include XLogP (Predicted Octanol/Water partition coefficient), TPSA (Topological Polar Surface Area), number of hydrogen-bond donors and acceptors in the compound and analytic volume of the default conformer for a compound.

3. A lower TPSA value suggests that a molecule has a smaller polar surface area, indicating fewer sites available for hydrogen bonding with water.

4. A lower XLogP value suggests that a molecule is more hydrophilic, indicating a greater tendency to dissolve in water.

5. Users enter the compound's name or chemical formula, the desired concentration, and the volume to prepare.

6. This app provides the required mass to prepare your desired concentration and volume in molarity, mass per volume, and mass per volume % formats.

7. Additionally, the app offers the concentration conversion coefficient from molarity to weight per volume or weight per volume% or vice versa.

8. These polar interactions facilitate the dissolution of the molecule in water, making it more hydrophilic.

9. The app returns the mass, along with molecular weight, exact weight, canonical smile and molecular formula fetched from PubChem.

10. We also extracted some predicted physical features of the compound of your interest from the PubChem database.

11. A higher XLogP values tend to be less hydrophilic.

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