| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 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) | 2.59 | 5.03 | -14.48 | 0 | 5 | 0 | 61 | 253.261 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.59 | 5.59 | -34.8 | 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 | 80 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 80 | 0.52 | Binding ≤ 1μM |
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 5000 | 0.39 | Binding ≤ 10μM |
| LUCI_PHOPY | P08659 | Luciferin 4-monooxygenase, Phopy | 2800 | 0.41 | Binding ≤ 10μM |
