| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 16 | Yes |
Popular Name: ethyl ethyl
| 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) | 2.46 | 6.97 | -7.38 | 0 | 4 | 0 | 44 | 238.674 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50467-2-O | Trichomonas Vaginalis (cluster #2 Of 3), Other | Other | 27 | 0.66 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 40 | 0.65 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50468 | Z50468 | Giardia Intestinalis | 39.8 | 0.65 | Functional ≤ 10μM |
| Z50467 | Z50467 | Trichomonas Vaginalis | 27.2 | 0.66 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.