UCSF

ZINC02034186

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 16 Yes

Popular Name: DNC003724 DNC003724

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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) 3.70 -1.78 -6.11 2 2 0 38 232.714 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-2-E Acetylcholinesterase (cluster #2 Of 12), Eukaryotic Eukaryotes 743 0.54 Binding ≤ 10μM
CHLE-2-E Butyrylcholinesterase (cluster #2 Of 7), Eukaryotic Eukaryotes 1 0.79 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_HUMAN P22303 Acetylcholinesterase, Human 550 0.55 Binding ≤ 1μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 40 0.65 Binding ≤ 1μM
CHLE_HUMAN P06276 Butyrylcholinesterase, Human 0.7 0.80 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 3680 0.48 Binding ≤ 10μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 40 0.65 Binding ≤ 10μM
CHLE_HUMAN P06276 Butyrylcholinesterase, Human 0.7 0.80 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% )

No pre-computed analogs available. Try a structural similarity search.