| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 25 | Yes |
Popular Name: N,N,N'-trimethyl-N'-(3-phenothiazin-10-ylpropyl)propane-1,3-diamine N,N,N'-trimethyl-N'-(3-phenothia…
| 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) | 4.68 | 14.09 | -102.83 | 2 | 3 | 2 | 14 | 357.567 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.68 | 11.58 | -40.85 | 1 | 3 | 1 | 13 | 356.559 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.68 | 11.75 | -38.88 | 1 | 3 | 1 | 13 | 356.559 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-6-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #6 Of 9), Other | Other | 1000 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 1000 | 0.34 | Functional ≤ 10μM |
