Non-natural sidechain SwissSidechain - PF5
3D view
| Name | pentafluoro-phenylalanine |
| Molecular Weight [g/mol] | 256.15 |
| logP | -0.91 (predicted) |
| Sidechain logP | 2.79 (predicted) |
| Volume [Å3 ] | 224.06 |
| Sidechain Volume [Å3 ] | 138.39 |
| pKa | 0.34 / 9.17 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)Cc1c(F)c(F)c(c(c1F)F)F |
| D-amino acid code | DPF5 |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 138109-65-6 | D: 40332-58-9 |
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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