Non-natural sidechain SwissSidechain - PHI
3D view
| Name | 4-Iodo-Phenylalanine |
| Molecular Weight [g/mol] | 292.09 |
| logP | -0.76 (predicted) |
| Sidechain logP | 2.94 (predicted) |
| Volume [Å3 ] | 222.19 |
| Sidechain Volume [Å3 ] | 136.52 |
| pKa | 1.9 / 9.44 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)Cc1ccc(cc1)I |
| D-amino acid code | DPHI |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 134497 |
| CAS number | L: 24250-85-9 | D: 62561-75-5 |
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-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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