| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 25 | Yes |
Popular Name: 2-[2-[(benzylamino)methyl]-4-chloro-phenoxy]-5-chloro-phenol 2-[2-[(benzylamino)methyl]-4-chl…
| 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) | 5.41 | 10.03 | -44.86 | 3 | 3 | 1 | 46 | 375.275 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.41 | 8.64 | -4.89 | 2 | 3 | 0 | 41 | 374.267 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D5-1-E | Enoyl-acyl-carrier Protein Reductase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3300 | 0.31 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 830 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D5_PLAFA | Q965D5 | Enoyl-acyl-carrier Protein Reductase, Plafa | 3300 | 0.31 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 770 | 0.34 | Functional ≤ 10μM |
