| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2005 | 21 | 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) | 5.77 | 9.05 | -26.42 | 3 | 2 | 1 | 40 | 299.825 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.77 | 8.68 | -6.24 | 2 | 2 | 0 | 39 | 298.817 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 257 | 0.44 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 762 | 0.41 | Binding ≤ 10μM |
| Z50418-2-O | Trypanosoma Brucei (cluster #2 Of 6), Other | Other | 2150 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 257 | 0.44 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 425 | 0.42 | Binding ≤ 1μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 762 | 0.41 | Binding ≤ 1μM |
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 257 | 0.44 | Binding ≤ 10μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 425 | 0.42 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 762 | 0.41 | Binding ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 2150 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
