Reaction Details | |
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Cell Reactant: | BDBM36284 |
Syringe Reactant: | BDBM26187 |
Meas. Tech.: | ITC |
Entry Date: | 01/10/11 |
ΔG°: | -24.8± (kJ/mole) |
pH: | 7±0 |
Log10Kb: | 4.34± 3.48 |
Temperature: | 298.15±0 (K) |
ΔH° : | n/a |
ΔHobs: | n/a |
Ionic Strength: | n/a |
n/a | |
Protons Released: | n/a |
ΔCp : | n/a |
Stoich. Param.: | n/a |
ΔS° : | n/a |
Comments: | First trial |
Citation | Rauwald, U; Biedermann, F; Deroo, S; Robinson, CV; Scherman, OA Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system. J Phys Chem B114:8606-15 (2010) [PubMed] Article |
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Instrument Info |
BDBM36284 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM36284 |
Synonyms: | BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8]uril Complex (MV-CB[8]) | SAMPL3, H3 |
Type | Molecular Host |
Emp. Form. | C48H48N32O16 |
Mol. Mass. | 1329.0995 |
SMILES | O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN%21C%22C%23N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN1C2=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O |
Structure | |
BDBM26187 | |
Source: | n/a |
Purity: | n/a |
Prep. Method: | n/a |
Name | BDBM26187 |
Synonyms: | α-CA inhibitor, 11 | CHEMBL14060 | US9688816, 2 | phenol |
Type | Small organic molecule |
Emp. Form. | C6H6O |
Mol. Mass. | 94.1112 |
SMILES | Oc1ccccc1 |
Structure |
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