Non-natural sidechain SwissSidechain - PYR2
3D view
| Name | 3-(2-Pyridyl)-alanine |
| Molecular Weight [g/mol] | 166.18 |
| logP | -1.56 (predicted) |
| Sidechain logP | 1.11 |
| Volume [Å3 ] | 193.91 |
| Sidechain Volume [Å3 ] | 108.25 |
| pKa | 1.77 / 9.27 / 3.04 (predicted) |
| SMILES | O=[C](=O)[C@H](Cc1ccccn1)[NH3] |
| D-amino acid code | DY23 |
| PDB References: | |
| L-amino acid | Not available |
| D-amino acid | Not available |
| PubChem | L: 2761499 | D: 7019768 |
| CAS number | L: 37535-51-6 | D: 37535-52-7 |
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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