| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 29 | No |
None
| 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) | 5.11 | 7.68 | -42.34 | 4 | 3 | 1 | 57 | 404.659 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SMT1-1-E | 24-sterol C-methyltransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 28 | 0.36 | Binding ≤ 10μM |
| Z50457-3-O | Leishmania Amazonensis (cluster #3 Of 3), Other | Other | 100 | 0.34 | Functional ≤ 10μM |
| Z50459-4-O | Leishmania Donovani (cluster #4 Of 8), Other | Other | 8900 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SMT1_ARATH | Q9LM02 | 24-sterol C-methyltransferase, Arath | 28 | 0.36 | Binding ≤ 1μM |
| SMT1_ARATH | Q9LM02 | 24-sterol C-methyltransferase, Arath | 28 | 0.36 | Binding ≤ 10μM |
| Z50457 | Z50457 | Leishmania Amazonensis | 10 | 0.39 | Functional ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 8900 | 0.24 | Functional ≤ 10μM |
