Non-natural sidechain SwissSidechain - OBF
3D view
| Name | (2s)-2-amino-4,4-difluorobutanoic acid |
| Molecular Weight [g/mol] | 140.11 |
| logP | -2.16 (predicted) |
| Sidechain logP | 0.75 |
| Volume [Å3 ] | 141.26 |
| Sidechain Volume [Å3 ] | 55.60 |
| pKa | 1.79 / 9.36 (predicted) |
| SMILES | [NH3][C@H](C(=O)O)CC(F)F |
| D-amino acid code | DOBF |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | |
| CAS number | L: 121960-22-3 |
Download:
| Files | L-amino acid | D-amino acid | |
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| PDB |
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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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