| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 21 | Yes |
Popular Name: 1-(4-(4-Bromophenyl)thiazol-2-yl)piperidine-4-carboxylic acid 1-(4-(4-Bromophenyl)thiazol-2-yl…
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CAS Numbers: , 296899-02-0
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidinecarboxylic acid
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-piperidinecarboxylicacid
1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
| 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) | 3.60 | 10.33 | -46.26 | 0 | 4 | -1 | 56 | 366.26 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.60 | 10.64 | -52.85 | 1 | 4 | 0 | 58 | 367.268 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.920000000000000e+002 - 1.940000000000000e+002 | KeyOrganics |
| melting_point | 192 - 194 | KeyOrganics |
| MP | 192-194° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1600 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI_LUCLA | Q01158 | Luciferase, Lucla | 1600 | 0.39 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.