| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 19 | No |
Popular Name: N6-[(5-nitro-2-thienyl)methyleneamino]-1,3,5-triazine-2,4,6-triamine N6-[(5-nitro-2-thienyl)methylene…
| 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) | 0.51 | 6.91 | -19.67 | 5 | 10 | 0 | 161 | 280.273 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420-4-O | Trypanosoma Brucei Brucei (cluster #4 Of 7), Other | Other | 850 | 0.45 | Functional ≤ 10μM |
| Z50466-7-O | Trypanosoma Cruzi (cluster #7 Of 8), Other | Other | 2600 | 0.41 | Functional ≤ 10μM |
| Z50725-2-O | Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other | Other | 240 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 1520 | 0.43 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 240 | 0.49 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 2600 | 0.41 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
