| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 25 | Yes |
Popular Name: 3,5-dichloro-N-[[1-(3,3-dimethylbutyl)-4-fluoro-4-piperidyl]methyl]benzamide 3,5-dichloro-N-[[1-(3,3-dimethyl…
| 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 | 10.97 | -44.84 | 2 | 3 | 1 | 34 | 390.35 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.18 | 8.77 | -5.51 | 1 | 3 | 0 | 32 | 389.342 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-1-E | HERG (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2220 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 2220 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
