Non-natural sidechain SwissSidechain - PBF
3D view
| Name | 4-benzoyl-phenylalanine |
| Molecular Weight [g/mol] | 270.30 |
| logP | -0.07 (predicted) |
| Sidechain logP | 3.63 (predicted) |
| Volume [Å3 ] | 315.08 |
| Sidechain Volume [Å3 ] | 229.42 |
| pKa | 1.59 / 9.21 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)Cc1ccc(cc1)C(=O)c1ccccc1 |
| D-amino acid code | DPBF |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 104504-45-2 | D: 201466-03-7 |
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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