| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: 2-(3-fluorophenyl)-1,3-benzothiazole 2-(3-fluorophenyl)-1,3-benzothia…
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CAS Number: 1629-07-8
| 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) | 4.43 | 7.85 | -7.42 | 0 | 1 | 0 | 13 | 229.279 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7800 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 7800 | 0.45 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.