UCSF

ZINC03634098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 25 Yes

Popular Name: 4-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-1-propylpiperidine maleate; LS-115030; Piperidine, 4-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-1-propyl-, maleate (1:1) 4-((10,11-Dihydro-5H-dibenzo(a,d…

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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) 4.16 1.39 -32.4 1 2 1 13 336.499 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACHP-2-E Acetylcholine-binding Protein (cluster #2 Of 3), Eukaryotic Eukaryotes 631 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACHP_LYMST P58154 Acetylcholine-binding Protein, Lymst 630.957344 0.35 Binding ≤ 1μM
ACHP_LYMST P58154 Acetylcholine-binding Protein, Lymst 630.957344 0.35 Binding ≤ 10μM

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