BDBM36027 (3-phenylpropyl)ammonium
SMILES: [NH3+]CCCc1ccccc1
InChI Key: InChIKey=LYUQWQRTDLVQGA-UHFFFAOYSA-O
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 | BDBM36027 | CHEBI MMDB PC cid PC sid PDB | CHEBI DrugBank MMDB PC cid PC sid PDB | -1.87 | 2.13 | -4.01 | 1.37 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM4 | BDBM36027 | CHEBI MMDB PC cid PC sid PDB | CHEBI DrugBank MMDB PC cid PC sid PDB | -1.82 | 1.99 | -3.80 | 1.34 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36027 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI DrugBank MMDB PC cid PC sid PDB | -2.77 | -0.577 | -2.20 | 2.04 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36027 | CHEBI KEGG MMDB PC cid PC sid PDB | CHEBI DrugBank MMDB PC cid PC sid PDB | -2.70 | -0.427 | -2.25 | 1.98 | 5 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |