| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 27 | Yes |
Popular Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] [(3aR,8bS)-3,4,8b-trimethyl-2,3a…
| 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) | 3.69 | 6.28 | -9.22 | 1 | 6 | 0 | 54 | 367.449 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 2 | 0.45 | Binding ≤ 10μM |
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 30 | 0.39 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 71 | 0.37 | Binding ≤ 10μM |
| Q9JKC1-1-E | Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 29.9 | 0.39 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 1.7 | 0.45 | Binding ≤ 1μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 5.8 | 0.43 | Binding ≤ 1μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 230 | 0.34 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 1700 | 0.30 | Binding ≤ 10μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 29.9 | 0.39 | Binding ≤ 10μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 1.7 | 0.45 | Binding ≤ 10μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 5.8 | 0.43 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 230 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
