| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 27 | No |
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) | 8.85 | 15.03 | -55.37 | 1 | 3 | -1 | 60 | 373.557 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 573 | 0.32 | Binding ≤ 10μM |
| PLCG1-1-E | Phospholipase C-gamma-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2220 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 573 | 0.32 | Binding ≤ 1μM |
| PLCG1_BOVIN | P08487 | 1-phosphatidylinositol-4,5-bisphosphate Phosphodiesterase Gamma-1, Bovin | 2220 | 0.29 | Binding ≤ 10μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 573 | 0.32 | Binding ≤ 10μM |
