Non-natural sidechain SwissSidechain - PYR3
3D view
| Name | 3-(3-Pyridyl)-alanine |
| Molecular Weight [g/mol] | 167.19 |
| logP | -2.48 (predicted) |
| Sidechain logP | 1.2 |
| Volume [Å3 ] | 193.64 |
| Sidechain Volume [Å3 ] | 107.98 |
| pKa | 1.79 / 9.37 / 3.85 (predicted) |
| SMILES | OC(=O)[C@H](Cc1cccnc1)[NH3] |
| D-amino acid code | DY33 |
| PDB References: | |
| L-amino acid | Not available |
| D-amino acid | Not available |
| PubChem | L: 152953 |
| CAS number | L: 64090-98-8 | D: 70702-47-5 |
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 | |
|