UCSF

ZINC29055624

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 44 No

Popular Name: DNC013575 DNC013575

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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) 9.35 19.48 -95.68 4 4 2 49 606.98 17 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-10-E Acetylcholinesterase (cluster #10 Of 12), Eukaryotic Eukaryotes 42 0.23 Binding ≤ 10μM
CHLE-1-E Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic Eukaryotes 100 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_MOUSE P21836 Acetylcholinesterase, Mouse 42 0.23 Binding ≤ 1μM
CHLE_MOUSE Q03311 Butyrylcholinesterase, Mouse 100 0.22 Binding ≤ 1μM
ACES_MOUSE P21836 Acetylcholinesterase, Mouse 42 0.23 Binding ≤ 10μM
CHLE_MOUSE Q03311 Butyrylcholinesterase, Mouse 100 0.22 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% )