Non-natural sidechain SwissSidechain - 4PH
3D view
| Name | 4-methyl-phenylalanine |
| Molecular Weight [g/mol] | 180.22 |
| logP | -1.04 (predicted) |
| Sidechain logP | 3.15 |
| Volume [Å3 ] | 219.58 |
| Sidechain Volume [Å3 ] | 133.92 |
| pKa | 2.58 / 9.47 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)Cc1ccc(cc1)C |
| D-amino acid code | D4PH |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 151513 | D: 7015862 |
| CAS number | L: 1991-87-3 | D: 49759-61-7 |
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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