| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 26 | No |
Popular Name: dihydroxy-(2-hydroxyethyl)-dimethyl-BLAHdicarbaldehyde dihydroxy-(2-hydroxyethyl)-dimet…
| 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) | 3.12 | 4.04 | -48.27 | 2 | 6 | -1 | 107 | 359.398 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 4.87 | -117.63 | 1 | 6 | -2 | 110 | 358.39 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 3.42 | -21.23 | 3 | 6 | 0 | 104 | 360.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 4.24 | -56.22 | 2 | 6 | -1 | 107 | 359.398 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 6100 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 6100 | 0.28 | Functional ≤ 10μM |
