Interaction Scheme
Molecule
benzene
Host
Tetrahydropyridazinophthalazine-tetraone-CB6
c = 100.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 8980.0 | ± 500.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 22.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.34 | ± 0.14 | -5.34 | ± 0.03 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| = | 0.185 ppm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Deuterium Oxide |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Isaacs, J. Lagona, B. D. Wagner, P. G. Boland, SupraBank 2024, A Cucurbit[6]uril Analogue: Host Properties Monitored by Fluorescence Spectroscopy (dataset). https://doi.org/10.34804/supra.20210928348 |
| Link: | https://doi.org/10.34804/supra.20210928348 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
B. D. Wagner, P. G. Boland, J. Lagona, L. Isaacs, J. Phys. Chem. B 2005, 109, 7686–7691. |
| Link: | https://doi.org/10.1021/jp044369c |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of benzene (0.0022271714922048997 M) and Tetrahydropyridazinophthalazine-tetraone-CB6 (0 — 0.004454342984409799 M).
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