| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2008 | 16 | Yes |
Popular Name: methyl methyl
| 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) | 2.72 | 5.1 | -5.23 | 2 | 5 | 0 | 67 | 260.08 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422-3-O | Entamoeba Histolytica (cluster #3 Of 5), Other | Other | 46 | 0.64 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 127 | 0.60 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 46 | 0.64 | Functional ≤ 10μM |
| Z50468 | Z50468 | Giardia Intestinalis | 127 | 0.60 | Functional ≤ 10μM |
