UCSF

ZINC01696214

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 No

Popular Name: BUTYRYLCHOLINE IODIDE BUTYRYLCHOLINE IODIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18956-84-8 , 2494-56-6 , 2963-78-2 , [2494-56-6] , [2963-78-2]

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) -2.64 7.97 -34.04 0 3 1 26 174.264 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-8-E Acetylcholinesterase (cluster #8 Of 12), Eukaryotic Eukaryotes 2 1.01 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_TORCA P04058 Acetylcholinesterase, Torca 2.29 1.01 Binding ≤ 1μM
ACES_TORCA P04058 Acetylcholinesterase, Torca 2.29 1.01 Binding ≤ 10μM

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