| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2006 | 20 | No |
Popular Name: Helicid Helicid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 26993-16-8 , 80154-34-3 , [26993-16-8]
| 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) | -0.54 | -9.12 | -10.43 | 4 | 7 | 0 | 116 | 284.264 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-8-E | Acetylcholinesterase (cluster #8 Of 12), Eukaryotic | Eukaryotes | 730 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 450 | 0.44 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 450 | 0.44 | Binding ≤ 10μM |
