| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2005 | 22 | Yes |
Popular Name: BRD-K06143692-003-01-4 BRD-K06143692-003-01-4
| 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) | 4.31 | 10.27 | -48.33 | 1 | 3 | 1 | 23 | 294.374 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 7.8 | -7.79 | 0 | 3 | 0 | 22 | 293.366 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420-1-O | Trypanosoma Brucei Brucei (cluster #1 Of 7), Other | Other | 6300 | 0.33 | Functional ≤ 10μM |
| Z50600-2-O | Vaccinia Virus (cluster #2 Of 2), Other | Other | 5400 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 6300 | 0.33 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 5400 | 0.34 | Functional ≤ 10μM |
