| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 3rd, 2009 | 48 | No |
Popular Name: N-[[4-[4-(benzylcarbamoyl)phenyl]phenyl]methyl]-N-[2-(dibutylamino)ethyl]-4-pentyl-benzamide N-[[4-[4-(benzylcarbamoyl)phenyl…
| 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) | 9.09 | 23.79 | -66.56 | 2 | 5 | 1 | 54 | 646.94 | 20 | ↓ |
| Hi High (pH 8-9.5) | 9.09 | 21.7 | -15.15 | 1 | 5 | 0 | 53 | 645.932 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLM2-1-E | Plasmepsin 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 72 | 0.21 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 566 | 0.18 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLM2_PLAFA | P46925 | Plasmepsin 2, Plafa | 72 | 0.21 | Binding ≤ 1μM |
| PLM2_PLAFA | P46925 | Plasmepsin 2, Plafa | 72 | 0.21 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 566 | 0.18 | Functional ≤ 10μM |
