| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 36 | Yes |
Popular Name: AVE 0118 hydrochloride AVE 0118 hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: 498577-53-0 (parent)
| 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) | 4.14 | -2.11 | -18.94 | 2 | 6 | 0 | 80 | 479.58 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.14 | -2 | -44.58 | 3 | 6 | 1 | 81 | 480.588 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 10000 | 0.19 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 10000 | 0.19 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.