UCSF

ZINC13795096

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 38 No

Popular Name: 3-(1,3-dioxoisoindolin-2-yl)propyl-[4-[3-(1,3-dioxoisoindolin-2-yl)propyl-dimethyl-ammonio]butyl]-di 3-(1,3-dioxoisoindolin-2-yl)prop…

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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) -4.07 17.56 -96.79 0 8 2 78 520.674 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM2-3-E Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic Eukaryotes 2690 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM2_PIG P06199 Muscarinic Acetylcholine Receptor M2, Pig 2690 0.21 Binding ≤ 10μM

Rings

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