| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 28 | Yes |
Popular Name: N'-(1-benzhydryl-4-piperidyl)-N,N-diethyl-propane-1,3-diamine N'-(1-benzhydryl-4-piperidyl)-N,…
| 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) | 4.75 | 13.27 | -105.86 | 3 | 3 | 2 | 24 | 381.608 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.75 | 11.04 | -40.95 | 2 | 3 | 1 | 23 | 380.6 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-1-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other | Other | 900 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 900 | 0.30 | Functional ≤ 10μM |
