| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 23 | Yes |
Popular Name: (2S)-1-[benzyl(ethyl)amino]-3-[benzyl(methyl)amino]propan-2-ol (2S)-1-[benzyl(ethyl)amino]-3-[b…
| 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) | 2.90 | 7.95 | -37.24 | 2 | 3 | 1 | 28 | 313.465 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 8.1 | -40.65 | 2 | 3 | 1 | 28 | 313.465 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 5.74 | -4.93 | 1 | 3 | 0 | 27 | 312.457 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7700 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 3700 | 0.33 | Functional ≤ 10μM |
