| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 40 | No |
Popular Name: [4-[6-[hydroxy(methoxy)BLAHyl]hexoxy]phenyl]-pyrrolidin-1-yl-methanone [4-[6-[hydroxy(methoxy)BLAHyl]he…
| 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) | 4.14 | 12.11 | -62.48 | 2 | 7 | 1 | 73 | 547.716 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 122 | 0.24 | Binding ≤ 10μM |
| Q9JKC1-1-E | Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9400 | 0.18 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 122 | 0.24 | Binding ≤ 1μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 122 | 0.24 | Binding ≤ 10μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 9400 | 0.18 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and deacylation of Ghrelin |
