| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 34 | No |
Popular Name: c1ccc(cc1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)c4ccc(c(c4)Cl)Cl)C5(O2)C(=O)c6ccccc6C5=O c1ccc(cc1)[C@@H]2[C@H]3[C@H](C(=…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.54 | 13.18 | -14.03 | 0 | 6 | 0 | 81 | 492.314 | 2 | ↓ |
| Ref Reference (pH 7) | 4.54 | 11.85 | -11 | 0 | 6 | 0 | 81 | 492.314 | 2 | ↓ |
| Ref Reference (pH 7) | 4.54 | 11.41 | -9.44 | 0 | 6 | 0 | 81 | 492.314 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SYFA-1-B | Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial | Bacteria | 5 | 0.34 | Binding ≤ 10μM |
| SYFA-1-B | Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial | Bacteria | 850 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SYFA_STRP8 | Q8P1K1 | Phenylalanyl-tRNA Synthetase Alpha Chain, Strp8 | 2 | 0.36 | Binding ≤ 1μM |
| SYFA_STRP8 | Q8P1K1 | Phenylalanyl-tRNA Synthetase Alpha Chain, Strp8 | 2 | 0.36 | Binding ≤ 10μM |
