| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 29 | Yes |
Popular Name: 1-[bis(4-fluorophenyl)methyl]-4-[2-(1-piperidyl)ethyl]piperazine 1-[bis(4-fluorophenyl)methyl]-4-…
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) | 4.68 | 13.38 | -101.14 | 2 | 3 | 2 | 12 | 401.545 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.68 | 9.3 | -3.94 | 0 | 3 | 0 | 10 | 399.529 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.68 | 11.53 | -37.06 | 1 | 3 | 1 | 11 | 400.537 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 94 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 93.75 | 0.34 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 126.3 | 0.33 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 135.2 | 0.33 | Binding ≤ 1μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 93.75 | 0.34 | Binding ≤ 10μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 126.3 | 0.33 | Binding ≤ 10μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 135.2 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
