| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2010 | 13 | No |
Popular Name: Ecgonidine methyl ester mesylate Ecgonidine methyl ester mesylate
Find On: PubMed — Wikipedia — Google
CAS Number: 50373-10-9
| 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) | 1.17 | 3.45 | -5.36 | 0 | 3 | 0 | 30 | 181.235 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-4-E | HERG (cluster #4 Of 5), Eukaryotic | Eukaryotes | 8913 | 0.54 | Binding ≤ 10μM |
| Z104290-2-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other | Other | 8900 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 8912.50938 | 0.54 | Binding ≤ 10μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 8900 | 0.54 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.