Non-natural sidechain SwissSidechain - F2F
3D view
| Name | 3,4-Difluoro-phenylalanine |
| Molecular Weight [g/mol] | 202.18 |
| logP | -1.21 (predicted) |
| Sidechain logP | 2.49 (predicted) |
| Volume [Å3 ] | 208.48 |
| Sidechain Volume [Å3 ] | 122.82 |
| pKa | 1.4 / 9.42 (predicted) |
| SMILES | OC(=O)[C@H](Cc1ccc(c(c1)F)F)[NH3] |
| D-amino acid code | DF2F |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 716295 |
| CAS number | L: 31105-90-5 | D: 249648-08-6 |
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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| CHARMM topology file | |
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