UCSF

ZINC27520809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 25 Yes

Popular Name: [(3S)-1-propylpyrrolidin-3-yl] [(3S)-1-propylpyrrolidin-3-yl]

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) 3.20 10.66 -40.39 2 4 1 51 340.443 7 ↓
Hi High (pH 8-9.5) 3.20 8.21 -9.27 1 4 0 50 339.435 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104303-2-O Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other Other 6 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104303 Z104303 Muscarinic Acetylcholine Receptor 6.23 0.46 Binding ≤ 1μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 6.23 0.46 Binding ≤ 10μM

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