UCSF

ZINC05489596

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 23 Yes

Popular Name: 1-(3-Dimethylaminopropyl)-2-(phenoxymethyl)benzimidazole dihydrochloride hydrate; Benzimidazole, 1-(3-(dimethylamino)propyl)-2-(phenoxymethyl)-, hydrochloride, hydrate (1:2:1); LS-32905 1-(3-Dimethylaminopropyl)-2-(phe…

Find On: PubMed — Wikipedia — Google

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) 3.55 11.13 -45.23 1 4 1 31 310.421 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACHA7-1-E Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 2600 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACHA7_RAT Q05941 Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat 2600 0.34 Functional ≤ 10μM

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