UCSF

ZINC27711936

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 51 No

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) 6.96 17.18 -114.28 3 8 2 75 700.961 14

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-1-E Acetylcholinesterase (cluster #1 Of 12), Eukaryotic Eukaryotes 560 0.17 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 560 0.17 Binding ≤ 1μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 560 0.17 Binding ≤ 10μM

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