Non-natural sidechain SwissSidechain - 2AG
3D view
| Name | 2-Allyl-glycine |
| Molecular Weight [g/mol] | 116.14 |
| logP | -2.26 (predicted) |
| Sidechain logP | 1.77 |
| Volume [Å3 ] | 141.88 |
| Sidechain Volume [Å3 ] | 56.22 |
| pKa | 2.3 / 9.6 |
| SMILES | [NH3][C@H](C(=O)O)CC=C |
| D-amino acid code | D2AG |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 167529 | D: 6992334 |
| CAS number | L: 16338-48-0 | D: 54594-06-8 |
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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