UCSF

ZINC00404237

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 11 Yes

Popular Name: 2,6-Dichlorophenethylamine 2,6-Dichlorophenethylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1017051-55-6 , 14573-23-0 , 885280-60-4 , 90389-15-4 , [14573-23-0]

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) 2.18 -1.99 -40.04 3 1 1 27 191.081 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 90°/1mm Fluorochem
BP 129 / 53 TCI
purity 9.500000000000000e+001 Enamine Building Blocks
BP 90°/1mm Matrix Scientific
purity 95 Enamine Building Blocks
Purity 97% Fluorochem
Purity 99% Matrix Scientific
Warnings Corrosive/Irritant Matrix Scientific
Warnings IRRITANT, CORROSIVE 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 51 0.93 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TAAR1_HUMAN Q96RJ0 Trace Amine-associated Receptor 1, Human 51 0.93 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% )

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