| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 35 | No |
Popular Name: ethyl ethyl
| 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) | -0.76 | -0.22 | -19.68 | 5 | 12 | 0 | 183 | 491.497 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | -2.69 | -63.97 | 4 | 12 | -1 | 186 | 490.489 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 7200 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 7200 | 0.21 | Functional ≤ 10μM |
