BDBM36029 (1S,2S)-(+)-pseudoephedrine::PSEUDOEPHEDRINE
SMILES: C[NH2+][C@@H](C)[C@@H](O)c1ccccc1
InChI Key: InChIKey=KWGRBVOPPLSCSI-WCBMZHEXSA-O
Data: 4 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 | BDBM36029 | CHEBI MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -1.77 | 2.63 | -4.39 | 1.30 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36029 | CHEBI MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -1.59 | 1.72 | -3.27 | 1.17 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36029 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -2.71 | 0.285 | -3.00 | 1.99 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36029 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI KEGG PC cid PC sid | -2.58 | 0.335 | -2.92 | 1.89 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |