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Cell Reactant:BDBM36284
Syringe Reactant:BDBM26187
Meas. Tech.:ITC
Entry Date:01/10/11
 
ΔG°:-5.94± (kcal/mole)
pH:7±0
Log10Kb:4.34± 3.48
Temperature:298.15±0 (K)
ΔH° :n/a
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:n/a
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :n/a
Comments:First trial
 
Citation Rauwald UBiedermann FDeroo SRobinson CVScherman OA Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system. J Phys Chem B 114:8606-15 (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
NameBDBM36284
Synonyms:BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8]uril Complex (MV-CB[8]) | SAMPL3, H3
TypeMolecular Host
Emp. Form.C48H48N32O16
Mol. Mass.1329.0995
SMILESO=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
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BDBM26187
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM26187
Synonyms:α-CA inhibitor, 11 | CHEMBL14060 | US9688816, 2 | phenol
TypeSmall organic molecule
Emp. Form.C6H6O
Mol. Mass.94.1112
SMILESOc1ccccc1
Structure
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Last update November 1, 2007
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