| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 21 | 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) | 3.89 | 9.59 | -14.57 | 1 | 3 | 0 | 42 | 274.323 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 69 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI_LUCLA | Q01158 | Luciferase, Lucla | 69 | 0.48 | Binding ≤ 1μM |
| LUCI_LUCLA | Q01158 | Luciferase, Lucla | 69 | 0.48 | Binding ≤ 10μM |
