| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 28 | Yes |
Popular Name: N-(6-benzyloxy-3-hydroxy-2,2-dimethyl-chroman-4-yl)-N-methyl-ethanesulfonamide N-(6-benzyloxy-3-hydroxy-2,2-dim…
None
| 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) | 3.34 | -4.45 | -15.37 | 1 | 6 | 0 | 76 | 405.516 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0913396A2; US6008245 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNE1-1-E | Voltage-gated Potassium Channel Beta Subunit Mink (cluster #1 Of 2), Eukaryotic | Eukaryotes | 400 | 0.32 | Binding ≤ 10μM |
| KCNQ1-1-E | Voltage-gated Potassium Channel Subunit Kv7.1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 400 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNE1_HUMAN | P15382 | Voltage-gated Potassium Channel Beta Subunit Mink, Human | 400 | 0.32 | Binding ≤ 1μM |
| KCNQ1_HUMAN | P51787 | Voltage-gated Potassium Channel Subunit Kv7.1, Human | 400 | 0.32 | Binding ≤ 1μM |
| KCNE1_HUMAN | P15382 | Voltage-gated Potassium Channel Beta Subunit Mink, Human | 400 | 0.32 | Binding ≤ 10μM |
| KCNQ1_HUMAN | P51787 | Voltage-gated Potassium Channel Subunit Kv7.1, Human | 400 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
