| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 17 | Yes |
Popular Name: 2-(4-Cyanophenyl)benzothiazole 2-(4-Cyanophenyl)benzothiazole
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CAS Number: 17930-02-8
| 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) | 4.05 | 8.19 | -8.74 | 0 | 2 | 0 | 37 | 236.299 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2100 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 2100 | 0.47 | Binding ≤ 10μM |
| LUCI_PHOPY | P08659 | Luciferin 4-monooxygenase, Phopy | 6300 | 0.43 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.