Non-natural sidechain SwissSidechain - CAN
3D view
| Name | canaline |
| Molecular Weight [g/mol] | 135.14 |
| logP | -3.90 (predicted) |
| Sidechain logP | -0.30 (predicted) |
| Volume [Å3 ] | 152.27 |
| Sidechain Volume [Å3 ] | 66.60 |
| pKa | 2.24 / 9.46 / 4.4-(NH2) (predicted) |
| SMILES | [NH3][C@H](C(=O)O)CCON |
| D-amino acid code | DCAN |
| PDB References: | |
| L-amino acid | PDB | Ligand |
| D-amino acid | Not available |
| PubChem | L: 441443 |
| CAS number | L: 496-93-5 | D: 128395-79-9 |
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-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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