| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 14 | Yes |
Popular Name: 2,2,4-Trimethyl-1,2-dihydroquinolin-6-ol 2,2,4-Trimethyl-1,2-dihydroquino…
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CAS Numbers: 72107-05-2 , [72107-05-2]
2,2,4-trimethyl-1,2-dihydro-6-quinolinol
2,2,4-Trimethyl-1,2-dihydro-quinolin-6-ol
| 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) | 2.52 | -1.63 | -4.93 | 2 | 2 | 0 | 32 | 189.258 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 780 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 780 | 0.61 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.