| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 22 | Yes |
Popular Name: 5-[5-(5-carbamimidoyl-2-thienyl)-2-thienyl]pyridine-2-carboxamidine 5-[5-(5-carbamimidoyl-2-thienyl)…
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) | 1.23 | 4.22 | -71.68 | 8 | 5 | 2 | 116 | 329.454 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-6-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #6 Of 9), Other | Other | 2 | 0.55 | Functional ≤ 10μM |
| Z50725-3-O | Trypanosoma Brucei Rhodesiense (cluster #3 Of 7), Other | Other | 4 | 0.53 | Functional ≤ 10μM |
| Z81135-1-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #1 Of 6), Other | Other | 4000 | 0.34 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 2.3 | 0.55 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 4 | 0.53 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 4000 | 0.34 | ADME/T ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
![3-[5-(2-thienyl)-2-thienyl]pyridine](http://zinc12.docking.org/img/rings/484525.gif)