| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2005 | 23 | No |
Popular Name: 2-bromobenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone 2-bromobenzaldehyde 5,6,7,8-tetr…
| 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) | 4.65 | -1.61 | -11.73 | 1 | 4 | 0 | 50 | 387.306 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457-1-O | Leishmania Amazonensis (cluster #1 Of 3), Other | Other | 1300 | 0.36 | Functional ≤ 10μM |
| Z50466-1-O | Trypanosoma Cruzi (cluster #1 Of 8), Other | Other | 9300 | 0.31 | Functional ≤ 10μM |
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 3), Other | Other | 7700 | 0.31 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457 | Z50457 | Leishmania Amazonensis | 1300 | 0.36 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 9300 | 0.31 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 7700 | 0.31 | ADME/T ≤ 10μM |
