Non-natural sidechain SwissSidechain - C2N
3D view
| Name | 3-chloro-l-alanine |
| Molecular Weight [g/mol] | 123.54 |
| logP | -1.89 (predicted) |
| Sidechain logP | 0.91 |
| Volume [Å3 ] | 123.21 |
| Sidechain Volume [Å3 ] | 37.55 |
| pKa | 1.7 / 8.52 (predicted) |
| SMILES | ClC[C@@H]([C](=O)=O)[NH3] |
| D-amino acid code | DC2N ;(PDB: C2N) |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | PDB | Ligand |
| PubChem | L: 439772 |
| CAS number | L: 2731-73-9 | D: 39217-38-4 |
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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