UCSF

ZINC01506851

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 Yes

Popular Name: (R)-(+)-beta-methylphenethylamine (R)-(+)-beta-methylphenethylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 020388-87-8 , 14182-57-1 , 17596-79-1 , 20388-87-8 , 28163-64-6 , 582-22-9 , [20388-87-8] , [28163-64-6] , [34298-25-4]

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) 1.72 3.82 -44.33 3 1 1 28 136.218 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 102 / 2 TCI
Melting_Point 143-145? Alfa-Aesar
MP 164 - 165 Enamine Building Blocks
MP 164...165 Enamine Building Blocks
BP 197° Matrix Scientific
MP 81° Matrix Scientific
BP 82-84°/10mm Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings Corrosive/Irritant-Harmful/Stored under Argon Matrix Scientific
Warnings IRRITANT Matrix Scientific

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 361 0.90 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TAAR1_HUMAN Q96RJ0 Trace Amine-associated Receptor 1, Human 361 0.90 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% )