| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 38 | Yes |
Popular Name: [4-[4-[hydroxy(methoxy)BLAHyl]butoxy]phenyl]-pyrrolidin-1-yl-methanone [4-[4-[hydroxy(methoxy)BLAHyl]bu…
| 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) | 3.13 | 10.55 | -64.72 | 2 | 7 | 1 | 73 | 519.662 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 54 | 0.27 | Binding ≤ 10μM |
| Q9JKC1-1-E | Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5600 | 0.19 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 53.8 | 0.27 | Binding ≤ 1μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 53.8 | 0.27 | Binding ≤ 10μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 5600 | 0.19 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and deacylation of Ghrelin |
