| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 23 | Yes |
Popular Name: N-benzyl-N-[(3,4-dimethoxyphenyl)methyl]propane-1,3-diamine N-benzyl-N-[(3,4-dimethoxyphenyl…
| 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) | 1.86 | 8.13 | -120.98 | 4 | 4 | 2 | 51 | 316.445 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 7.76 | -43.54 | 3 | 4 | 1 | 49 | 315.437 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 5.9 | -51.7 | 3 | 4 | 1 | 49 | 315.437 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 5600 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 5600 | 0.32 | Functional ≤ 10μM |
