Non-natural sidechain SwissSidechain - 4BF
3D view
| Name | 4-Bromo-phenylalanine |
| Molecular Weight [g/mol] | 245.09 |
| logP | -0.72 (predicted) |
| Sidechain logP | 3.42 |
| Volume [Å3 ] | 225.92 |
| Sidechain Volume [Å3 ] | 140.26 |
| pKa | 1.81 / 9.44 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)Cc1ccc(cc1)Br |
| D-amino acid code | D4BF |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 671214 | D: 671215 |
| CAS number | L: 24250-84-8 | D: 62561-74-4 |
Download:
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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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