UCSF

ZINC01852611

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 10 Yes

Popular Name: 2-(2-aminoethyl)phenol 2-(2-aminoethyl)phenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2039-66-9 , 5136-97-0 , [2039-66-9]

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) 0.86 0.5 -43.86 4 2 1 47 138.19 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 107 - 109 Enamine Building Blocks
MP 107...109 Enamine Building Blocks
MP 152 - 154 Enamine Building Blocks
MP 152...154 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% 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 614 0.87 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TAAR1_HUMAN Q96RJ0 Trace Amine-associated Receptor 1, Human 614 0.87 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% )