Non-natural sidechain SwissSidechain - TBP4
3D view
| Name | 4-tert-butyl-phenylalanine |
| Molecular Weight [g/mol] | 222.30 |
| logP | 0.26 (predicted) |
| Sidechain logP | 5.17 |
| Volume [Å3 ] | 278.40 |
| Sidechain Volume [Å3 ] | 192.74 |
| pKa | 2.69 / 9.46 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)Cc1ccc(cc1)C(C)(C)C |
| D-amino acid code | D4TF |
| PDB References: | |
| L-amino acid | Not available |
| D-amino acid | Not available |
| PubChem | L: 2761795 |
| CAS number | L: 82372-74-5 | D: 274262-82-7 |
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 | |
|