| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2004 | 19 | Yes |
Popular Name: LS-40735 LS-40735
| 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) | 3.94 | 7.01 | -10.07 | 0 | 3 | 0 | 31 | 271.341 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3974287; US4020165 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1900 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 1900 | 0.42 | Binding ≤ 10μM |
| LUCI_PHOPY | P08659 | Luciferin 4-monooxygenase, Phopy | 3200 | 0.40 | Binding ≤ 10μM |
