| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 32 | No |
Popular Name: deacetylgedunin deacetylgedunin
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) | 3.64 | 7.06 | -14.15 | 1 | 6 | 0 | 89 | 440.536 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 3290 | 0.24 | Functional ≤ 10μM |
| Z80418-3-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other | Other | 10000 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 3290 | 0.24 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 10000 | 0.22 | Functional ≤ 10μM |
