| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 33 | Yes |
Popular Name: DNC004403 DNC004403
| 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) | 5.18 | 15.18 | -54.38 | 3 | 5 | 1 | 55 | 445.562 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 9000 | 0.21 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 57 | 0.31 | Functional ≤ 10μM |
| Z102352-1-O | Plasma (cluster #1 Of 1), Other | Other | 100 | 0.30 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 1 | 0.38 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1 | 0.38 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 56.8 | 0.31 | Functional ≤ 10μM |
| Z102352 | Z102352 | Plasma | 100 | 0.30 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
