| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2010 | 46 | No |
Popular Name: N,N-bis[[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methyl]butane-1,4-diamine N,N-bis[[4-[(2,3,4,5,6-pentafluo…
| 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) | 6.85 | 16.65 | -117.53 | 4 | 4 | 2 | 51 | 662.568 | 14 | ↓ |
| Hi High (pH 8-9.5) | 6.85 | 14.54 | -50.49 | 3 | 4 | 1 | 49 | 661.56 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 680 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 2070 | 0.17 | Functional ≤ 10μM |
