| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 21 | No |
Popular Name: (2R)-2-decyl-5-hydroxy-2-methyl-4-propyl-thiophen-3-one (2R)-2-decyl-5-hydroxy-2-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) | 6.96 | 12.21 | -3.68 | 0 | 2 | 0 | 34 | 312.519 | 11 | ↓ |
| Mid Mid (pH 6-8) | 7.55 | 11.23 | -34.16 | 0 | 2 | -1 | 40 | 311.511 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-4-O | Plasmodium Falciparum (cluster #4 Of 22), Other | Other | 10000 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.33 | Functional ≤ 10μM |
