Non-natural sidechain SwissSidechain - PYR4
3D view
| Name | 3-(4-Pyridyl)-alanine |
| Molecular Weight [g/mol] | 167.19 |
| logP | -2.48 (predicted) |
| Sidechain logP | 1.22 |
| Volume [Å3 ] | 193.57 |
| Sidechain Volume [Å3 ] | 107.91 |
| pKa | 1.79 / 9.4 / 4.86 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)Cc1ccncc1 |
| D-amino acid code | DY34 |
| PDB References: | |
| L-amino acid | Not available |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 178933-04-5 | D: 174096-41-4 |
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 | |
|