UCSF

ZINC00403368

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 9 Yes

Popular Name: 3-(2-aminoethyl)pyridine 3-(2-aminoethyl)pyridine

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CAS Numbers: 20173-24-4 , 307496-23-7 , 74317-85-4 , 84359-16-0 , 90345-16-7 , [20173-24-4] , [307496-23-7] , [84359-16-0] , [90345-16-7]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.31 1.53 -48.04 3 2 1 41 123.179 2 ↓
Lo Low (pH 4.5-6) -0.31 1.81 -95.44 4 2 2 42 124.187 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 119-120?/19mm Alfa-Aesar
Boiling_Point 119-120°/19mm Alfa-Aesar
BP 128 / 24 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 98% Fluorochem
Warnings Corrosive/Air Sensitive Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACHA7-1-E Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic Eukaryotes 8511 0.79 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACHA7_HUMAN P36544 Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human 8511.38038 0.79 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Highly calcium permeable postsynaptic nicotinic acetylcholine receptors

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

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