| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2009 | 22 | Yes |
Popular Name: 3-chloro-6-piperazin-1-yl-5H-benzo[c][1,5]benzodiazepine 3-chloro-6-piperazin-1-yl-5H-ben…
| 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) | 3.55 | 7.31 | -22.86 | 3 | 4 | 1 | 45 | 313.812 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 7.44 | -194.33 | 5 | 4 | 3 | 51 | 315.828 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 8.65 | -97.26 | 4 | 4 | 2 | 50 | 314.82 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 4467 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 4466.83592 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
