UCSF

ZINC31555612

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 26 Yes

Popular Name: 1-alpha-H,5-alpha-H-Tropane, 3-alpha-((10,11-dihydro-1-methyl-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-, oxalate (1:1); 3-alpha-((1-Methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane oxalate; LS-157778 1-alpha-H,5-alpha-H-Tropane, 3-a…

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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) 4.79 13.46 -34.07 1 2 1 14 348.51 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACHP-3-E Acetylcholine-binding Protein (cluster #3 Of 3), Eukaryotic Eukaryotes 316 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACHP_LYMST P58154 Acetylcholine-binding Protein, Lymst 316.227766 0.35 Binding ≤ 1μM
ACHP_LYMST P58154 Acetylcholine-binding Protein, Lymst 316.227766 0.35 Binding ≤ 10μM

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