Non-natural sidechain SwissSidechain - BTH3
3D view
| Name | 3-(3-benzothienyl)-alanine |
| Molecular Weight [g/mol] | 221.28 |
| logP | 0.49 (predicted) |
| Sidechain logP | 3.30 (predicted) |
| Volume [Å3 ] | 239.68 |
| Sidechain Volume [Å3 ] | 154.02 |
| pKa | 2.36 / 9.34 (predicted) |
| SMILES | O=[C](=O)[C@H](Cc1csc2c1cccc2)[NH3] |
| D-amino acid code | DTH9 |
| PDB References: | |
| L-amino acid | Not available |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 72120-71-9 | D: 111139-55-0 |
Download:
| Files | L-amino acid | D-amino acid | |
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| PDB |
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| MOL2 | |
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| 2D structures (PNG) | |
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| backbone-dependent rotamers | |
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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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