Non-natural sidechain SwissSidechain - 32T
3D view
| Name | 3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine |
| Molecular Weight [g/mol] | 210.25 |
| logP | -0.63 (predicted) |
| Sidechain logP | 2.18 (predicted) |
| Volume [Å3 ] | 220.90 |
| Sidechain Volume [Å3 ] | 135.24 |
| pKa | 2.74 / 9.37 (predicted) |
| SMILES | O=[C](=O)[C@H](Cc1c[nH]c2c1scc2)[NH3] |
| D-amino acid code | D32T |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number |
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 | |
|