| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 24 | Yes |
Popular Name: 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(4-bromophenyl)methoxy]-6-…
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) | 4.22 | 6.74 | -12.86 | 1 | 5 | 0 | 69 | 391.217 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNA1-1-E | Voltage-gated Potassium Channel Subunit Kv1.1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1200 | 0.35 | Functional ≤ 10μM |
| KCNA2-1-E | Voltage-gated Potassium Channel Subunit Kv1.2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1400 | 0.34 | Functional ≤ 10μM |
| KCNA3-1-E | Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 400 | 0.37 | Functional ≤ 10μM |
| KCNA4-1-E | Voltage-gated Potassium Channel Subunit Kv1.4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4300 | 0.31 | Functional ≤ 10μM |
| KCNA5-1-E | Voltage-gated Potassium Channel Subunit Kv1.5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 900 | 0.35 | Functional ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9000 | 0.29 | Functional ≤ 10μM |
| Z100759-1-O | T-lymphocytes (cluster #1 Of 1), Other | Other | 2500 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 9000 | 0.29 | Functional ≤ 10μM |
| Z100759 | Z100759 | T-lymphocytes | 2500 | 0.33 | Functional ≤ 10μM |
| KCNA1_HUMAN | Q09470 | Voltage-gated Potassium Channel Subunit Kv1.1, Human | 1200 | 0.35 | Functional ≤ 10μM |
| KCNA2_HUMAN | P16389 | Voltage-gated Potassium Channel Subunit Kv1.2, Human | 1400 | 0.34 | Functional ≤ 10μM |
| KCNA3_MOUSE | P16390 | Voltage-gated Potassium Channel Subunit Kv1.3, Mouse | 400 | 0.37 | Functional ≤ 10μM |
| KCNA4_HUMAN | P22459 | Voltage-gated Potassium Channel Subunit Kv1.4, Human | 4300 | 0.31 | Functional ≤ 10μM |
| KCNA5_HUMAN | P22460 | Voltage-gated Potassium Channel Subunit Kv1.5, Human | 900 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.
