| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2004 | 19 | Yes |
| 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) | 2.45 | 4.56 | -10.84 | 0 | 5 | 0 | 61 | 253.261 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 5.01 | -45.28 | 1 | 5 | 1 | 62 | 254.269 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4800 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 4800 | 0.39 | Binding ≤ 10μM |
