| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2008 | 25 | Yes |
| 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) | 8.29 | 12.57 | -57.22 | 1 | 3 | -1 | 60 | 345.503 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 2172 | 0.32 | Binding ≤ 10μM |
| LOX1-1-E | Seed Lipoxygenase-1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6000 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 2172 | 0.32 | Binding ≤ 10μM |
| LOX1_SOYBN | P08170 | Seed Lipoxygenase-1, Soybn | 6000 | 0.29 | Binding ≤ 10μM |
