| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2009 | 16 | Yes |
Popular Name: DNC003702 DNC003702
| 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) | 3.68 | 6.27 | -24.93 | 3 | 2 | 1 | 40 | 233.722 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 5.93 | -10.97 | 2 | 2 | 0 | 39 | 232.714 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-2-E | Acetylcholinesterase (cluster #2 Of 12), Eukaryotic | Eukaryotes | 69 | 0.63 | Binding ≤ 10μM |
| CHLE-2-E | Butyrylcholinesterase (cluster #2 Of 7), Eukaryotic | Eukaryotes | 45 | 0.64 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 68.9 | 0.63 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 36 | 0.65 | Binding ≤ 1μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 45 | 0.64 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 68.9 | 0.63 | Binding ≤ 10μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 36 | 0.65 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 45 | 0.64 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
