UCSF

ZINC03639046

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 Yes

Popular Name: 2-(4-Benzyloxy-phenyl)-ethylamine 2-(4-Benzyloxy-phenyl)-ethylamine

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CAS Numbers: 2982-54-9 , 51179-05-6

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) 2.57 -1.52 -48.25 3 2 1 37 228.315 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 225 - 227 Enamine Building Blocks
MP 225...227 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TAAR1-2-E Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 209 0.55 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TAAR1_MOUSE Q923Y8 Trace Amine-associated Receptor1, Mouse 168 0.56 Functional ≤ 10μM
TAAR1_RAT Q923Y9 Trace Amine-associated Receptor1, Rat 209 0.55 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Amine ligand-binding receptors
G alpha (s) signalling events

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