UCSF

ZINC33867866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 28 Yes

Popular Name: 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)tropane-8-propionitrile hydrogenmaleate; 3-(3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)nortropan-8-yl)propionitrile maleate; LS-157791; Tropane-8-propionitrile, 3-(10,11-dihydro-5H-dibenzo(a,d)c 3-(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) 3.85 13.59 -44.78 1 3 1 37 373.52 4 ↓
Hi High (pH 8-9.5) 3.85 11.37 -7.43 0 3 0 36 372.512 4 ↓

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 1000 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACHP_LYMST P58154 Acetylcholine-binding Protein, Lymst 1000 0.30 Binding ≤ 1μM
ACHP_LYMST P58154 Acetylcholine-binding Protein, Lymst 1000 0.30 Binding ≤ 10μM

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