UCSF

ZINC12417747

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 17 Yes

Popular Name: DNC009929 DNC009929

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.82 5.78 -7.52 0 3 0 37 253.367 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-5-E Acetylcholinesterase (cluster #5 Of 12), Eukaryotic Eukaryotes 362 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_RAT P37136 Acetylcholinesterase, Rat 362 0.53 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 392 0.53 Binding ≤ 1μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 388 0.53 Binding ≤ 1μM
ACES_RAT P37136 Acetylcholinesterase, Rat 362 0.53 Binding ≤ 10μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 392 0.53 Binding ≤ 10μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 388 0.53 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC
Synthesis, secretion, and deacylation of Ghrelin

Analogs ( Draw Identity 99% 90% 80% 70% )