UCSF

ZINC06637582

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 8 Yes

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) 1.76 2.64 -32.25 1 1 1 4 114.212 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-9-E Acetylcholinesterase (cluster #9 Of 12), Eukaryotic Eukaryotes 1 1.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_TORCA P04058 Acetylcholinesterase, Torca 1.13 1.57 Binding ≤ 1μM
ACES_TORCA P04058 Acetylcholinesterase, Torca 1.13 1.57 Binding ≤ 10μM

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