| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2006 | 17 | No |
Popular Name: methoxy-dimethyl-BLAH methoxy-dimethyl-BLAH
| 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) | -1.79 | 0.78 | -30.4 | 1 | 3 | 1 | 28 | 227.287 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 1100 | 0.49 | Functional ≤ 10μM |
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 8600 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 8600 | 0.42 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1100 | 0.49 | Functional ≤ 10μM |
