BDBM36209 3-homoadamantanecarboxylate (3HAC)
SMILES: OC(=O)C12CC3CC(CC(C3)CC1)C2
InChI Key: InChIKey=ZWJPDTCMULYABF-UHFFFAOYSA-N
Data: 2 ITC
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM11 | BDBM36209 | CHEBI KEGG MMDB PC cid PC sid PDB | PC cid PC sid | n/a | 1.88 | -7.50 | 4.15 | 7.20 | 25 | |
University of Mississippi | J Am Chem Soc 111: 6765-72 (1989) | |||||||||
BDBM4 | BDBM36209 | CHEBI MMDB PC cid PC sid PDB | PC cid PC sid | n/a | 1.13 | -4.61 | 2.54 | 7.20 | 25 | |
University of Mississippi | J Am Chem Soc 111: 6765-72 (1989) |