| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 23 | Yes |
Popular Name: 1-[(2-methoxyphenyl)methyl]-2,2,4-trimethyl-quinolin-6-ol 1-[(2-methoxyphenyl)methyl]-2,2,…
None
| 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) | 4.17 | 7.81 | -6.59 | 1 | 3 | 0 | 33 | 309.409 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-2-O | Trypanosoma Brucei (cluster #2 Of 6), Other | Other | 45 | 0.45 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 14 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418 | Z50418 | Trypanosoma Brucei | 45 | 0.45 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 14 | 0.48 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
