In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 27 | Yes |
Popular Name: DeoxyDonepezilHydrochloride DeoxyDonepezilHydrochloride
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CAS Numbers: 1034439-57-0 , 844694-84-4
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) | 4.76 | 13.49 | -43.9 | 1 | 3 | 1 | 23 | 366.525 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 1451 | 0.30 | Binding ≤ 10μM |
CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 6401 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 1451 | 0.30 | Binding ≤ 10μM |
CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 6401 | 0.27 | Binding ≤ 10μM |
Description | Species |
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Neurotransmitter Clearance In The Synaptic Cleft | |
Synthesis of PC | |
Synthesis, secretion, and deacylation of Ghrelin |