Non-natural sidechain SwissSidechain - TIH
3D view
| Name | 3-(2-thienyl)-alanine |
| Molecular Weight [g/mol] | 172.22 |
| logP | -1.69 (predicted) |
| Sidechain logP | 2.33 |
| Volume [Å3 ] | 188.84 |
| Sidechain Volume [Å3 ] | 103.18 |
| pKa | 2.05 / 9.27 (predicted) |
| SMILES | OC(=O)[C@H](Cc1cccs1)[NH3] |
| D-amino acid code | DTIH |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 146719 | D: 7111750 |
| CAS number | L: 22951-96-8 | D: 62561-76-6 |
Download:
| Files | L-amino acid | D-amino acid | |
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-independent rotamers | |
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| Gromacs topology file | |
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| CHARMM topology file | |
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