| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 32 | Yes |
Popular Name: (2S)-6-phenoxy-2-[2-(4-phenyl-1-piperidyl)ethyl]tetralin-1-one (2S)-6-phenoxy-2-[2-(4-phenyl-1-…
| 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) | 6.84 | 16.94 | -42.21 | 1 | 3 | 1 | 31 | 426.58 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCND3-1-E | Voltage-gated Potassium Channel Subunit Kv4.3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.25 | Binding ≤ 10μM |
| KCNQ1-1-E | Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCND3_HUMAN | Q9UK17 | Voltage-gated Potassium Channel Subunit Kv4.3, Human | 1500 | 0.25 | Binding ≤ 10μM |
| KCNQ1_CAVPO | O70344 | Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig | 1500 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
