Non-natural sidechain SwissSidechain - 3FG
3D view
| Name | (2s)-amino(3,5-dihydroxyphenyl)-ethanoic acid |
| Molecular Weight [g/mol] | 184.17 |
| logP | -2.41 (predicted) |
| Sidechain logP | 0.8 |
| Volume [Å3 ] | 191.73 |
| Sidechain Volume [Å3 ] | 106.07 |
| pKa | 1.37 / 8.01 / 8.78 / 10.82 (predicted) |
| SMILES | OC(=O)[C@H](c1cc(O)cc(c1)O)[NH3] |
| D-amino acid code | D3FG |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 443586 |
| CAS number | L: 162870-29-3 |
Download:
| Files | L-amino acid | D-amino acid | |
|---|---|---|---|
| PDB |
|
|
|
| MOL2 | |
|
|
| 2D structures (PNG) | |
 |
|
| backbone-dependent rotamers | |
|
|
| backbone-independent rotamers | |
|
|
| Gromacs topology file | |
|
|
| CHARMM topology file | |
|