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Each calculator runs the same calculation as the full version of CovaSketch. Enter your values and see the result straight away, with no account and no email address.
ICH M7 quick classification
Structural alert and statistical model in one pass, with class, mechanism and confidence.
Open calculatorMolecular formula from exact mass
Candidate formulas for a measured m/z, with mass error in ppm, RDBE and a plausibility score.
Open calculatorDrug-likeness: Lipinski, Veber, QED
Molecular weight, LogP, hydrogen bond donors and acceptors, TPSA, plus Lipinski, Veber, Ghose, QED and synthetic accessibility.
Open calculatorIsotope pattern from molecular formula
Theoretical isotope pattern with relative intensities, the cross-check for every formula assignment.
Open calculatorHPLC starting method
Column, eluents, gradient and flow as a starting point for the first injection.
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More than a calculator
With a free account you work on the whole molecule.
Spectra, stability, toxicology, solubility and synthesis routes on the same molecule, in the browser or in Claude and ChatGPT.