| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 34 | No |
| 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) | -3.04 | 12.28 | -72.15 | 2 | 6 | 2 | 59 | 466.622 | 11 | ↓ |
| Hi High (pH 8-9.5) | -3.04 | 13.03 | -66.74 | 1 | 6 | 1 | 62 | 465.614 | 11 | ↓ |
| Hi High (pH 8-9.5) | -3.04 | 13.79 | -75.15 | 0 | 6 | 0 | 65 | 464.606 | 11 | ↓ |
| Hi High (pH 8-9.5) | -3.04 | 13.03 | -71.62 | 1 | 6 | 1 | 62 | 465.614 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 6560 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 6560 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC |
