| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 25th, 2010 | 39 | No |
Popular Name: dihydroxy-(hydroxymethyl)-trimethyl-(3,4,5-trimethoxyphenyl)BLAHdione dihydroxy-(hydroxymethyl)-trimet…
| 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) | 2.05 | 5.74 | -26.69 | 3 | 10 | 0 | 145 | 542.581 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 790 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 790 | 0.22 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 790 | 0.22 | Binding ≤ 10μM |
