UCSF

ZINC26006228

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 28 No

Popular Name: mAChR-IN-1 mAChR-IN-1

Find On: PubMed — Wikipedia — Google

CAS Number: 119391-56-9

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) 4.09 10.8 -61.05 2 4 1 51 489.377 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104303-1-O Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other Other 17 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104303 Z104303 Muscarinic Acetylcholine Receptor 17 0.39 Binding ≤ 1μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 17 0.39 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.