Ligand |
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| Ligand Name: PHENYLALANINE | ||
| HET ID: PHE | PubChem: 6140, 6925665 | |
| DrugBank: DB00120 | ChEMBL: CHEMBL301523 | |
| Canonical SMILES: N[C@H](C(=O)O)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | ||
| Molecular Formula: C9H11NO2 | Mol. Weight: 165.18913 | Heavy Atoms: 12 |
| Charge: 0 | Is Chiral: True | logP: 1.3413 |
| HBD: 2 | HBA: 3 | TPSA: 63.32 |
| #Bonds: 13 | #Rotatable Bonds: 3 | Shape Complexity: 0.22222222 |
| Stereocomplexity: 0.11111111 | Ligand Type: Small Molecule | |
Binding Affinity |
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