UCSF

ZINC13605068

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 9 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) -2.36 7.64 -32.38 0 1 1 0 195.124 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 6 1.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_TORCA P04058 Acetylcholinesterase, Torca 5.97 1.28 Binding ≤ 1μM
ACES_TORCA P04058 Acetylcholinesterase, Torca 5.97 1.28 Binding ≤ 10μM

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