BDBM36020 4-O-methyldopamine
SMILES: COc1ccc(CC[NH3+])cc1O
InChI Key: InChIKey=WJXQFVMTIGJBFX-UHFFFAOYSA-O
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|
BDBM4 | BDBM36020 | CHEBI MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -0.979 | 1.42 | -2.39 | 0.720 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36020 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.56 | 0.762 | -3.20 | 1.78 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36020 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI PC cid PC sid | -2.34 | 1.32 | -3.65 | 1.71 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |