| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 33 | Yes |
Popular Name: N,N'-bis[(3S)-3-(benzylamino)butyl]heptane-1,7-diamine N,N'-bis[(3S)-3-(benzylamino)but…
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| 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) | 4.81 | 14.04 | -173.26 | 7 | 4 | 3 | 62 | 455.755 | 20 | ↓ |
| Hi High (pH 8-9.5) | 4.81 | 13.75 | -170.38 | 7 | 4 | 3 | 62 | 455.755 | 20 | ↓ |
| Hi High (pH 8-9.5) | 4.81 | 13.75 | -171.56 | 7 | 4 | 3 | 62 | 455.755 | 20 | ↓ |
| Mid Mid (pH 6-8) | 4.81 | 12.83 | -92.17 | 6 | 4 | 2 | 57 | 454.747 | 20 | ↓ |
| Mid Mid (pH 6-8) | 4.81 | 15.09 | -266.34 | 8 | 4 | 4 | 66 | 456.763 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 2600 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 2600 | 0.24 | Functional ≤ 10μM |
