| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 19 | Yes |
Popular Name: (2S)-1-benzyloxy-3-[[(2R)-tetrahydrofuran-2-yl]methylamino]propan-2-ol (2S)-1-benzyloxy-3-[[(2R)-tetrah…
| 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) | 1.06 | 3.62 | -44.07 | 3 | 4 | 1 | 55 | 266.361 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 2.1 | -6.64 | 2 | 4 | 0 | 51 | 265.353 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 7700 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 7700 | 0.38 | Functional ≤ 10μM |
