Non-natural sidechain SwissSidechain - 4CF
3D view
| Name | 4-cyano-phenylalanine |
| Molecular Weight [g/mol] | 191.21 |
| logP | -1.69 (predicted) |
| Sidechain logP | 2.01 (predicted) |
| Volume [Å3 ] | 218.69 |
| Sidechain Volume [Å3 ] | 133.03 |
| pKa | 1.52 / 9.42 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)Cc1ccc(cc1)C#N |
| D-amino acid code | D4CF |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 104531-20-6 | D: 167479-78-9 |
Download:
| Files | L-amino acid | D-amino acid | |
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| MOL2 | |
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| 2D structures (PNG) | |
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| Gromacs topology file | |
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| CHARMM topology file | |
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