Ligand |
||
 | ||
| Ligand Name: L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1325 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC(=O)NC[C@H](B(O)O)c(ccc1)c(c12)cccc2 | ||
| Standard InChI: InChI=1S/C14H16BNO3/c1-10(17)16-9-14(15(18)19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,18-19H,9H2,1H3,(H,16,17)/t14-/m0/s1 | ||
| Molecular Formula: C14H16BNO3 | Mol. Weight: 257.1223 | logP: 1.0715 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 4 | TPSA: 69.56 | |