Non-natural sidechain SwissSidechain - BIU
3D view
| Name | 5-bromo-l-isoleucine |
| Molecular Weight [g/mol] | 211.08 |
| logP | -1.45 (predicted) |
| Sidechain logP | 2.75 |
| Volume [Å3 ] | 196.65 |
| Sidechain Volume [Å3 ] | 110.99 |
| pKa | 2.26 / 9.56 (predicted) |
| SMILES | C[C@H]([C@@H](C(=O)O)[NH3])CCBr |
| D-amino acid code | DBIU |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number |
Download:
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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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