| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 26 | Yes |
Popular Name: (2S)-6-methoxy-2-[(4-phenyl-1-piperidyl)methyl]tetralin-1-one (2S)-6-methoxy-2-[(4-phenyl-1-pi…
| 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) | 4.87 | 12.87 | -39.55 | 1 | 3 | 1 | 31 | 350.482 | 4 | ↓ |
| 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 | 5000 | 0.29 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 4000 | 0.29 | Binding ≤ 10μM |
| KCNQ1-1-E | Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 4000 | 0.29 | Binding ≤ 10μM |
| KCND3_HUMAN | Q9UK17 | Voltage-gated Potassium Channel Subunit Kv4.3, Human | 4000 | 0.29 | Binding ≤ 10μM |
| KCNQ1_CAVPO | O70344 | Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig | 5000 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
