| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 29 | Yes |
Popular Name: N,N'-bis[3-(3-thienylmethylamino)propyl]heptane-1,7-diamine N,N'-bis[3-(3-thienylmethylamino…
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 3.32 | 8.87 | -94.52 | 6 | 4 | 2 | 57 | 438.751 | 20 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 10.3 | -175.72 | 7 | 4 | 3 | 62 | 439.759 | 20 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 11.78 | -260.51 | 8 | 4 | 4 | 66 | 440.767 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 3900 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 3900 | 0.26 | Functional ≤ 10μM |
