| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2008 | 22 | Yes |
Popular Name: N,N-diethyl-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanamine N,N-diethyl-2-[4-(1,1,3,3-tetram…
| 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) | 5.90 | 11.41 | -31.4 | 1 | 2 | 1 | 14 | 306.514 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNQ1-1-E | Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNQ1_CAVPO | O70344 | Voltage-gated Potassium Channel Subunit Kv7.1, Guinea Pig | 5000 | 0.34 | Binding ≤ 10μM |
