UCSF

ZINC02035977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 Yes

Popular Name: LS-103271; Phenethylamine, 3,4-dichloro-alpha-methyl-, hydrochloride, dl-; dl-3,4-Dichloro-alpha-methylphenethylamine hydrochloride; dl-m,p-Dicloro-alpha-metilfenetilamina HCl [Italian] LS-103271; Phenethylamine, 3,4-d…

Find On: PubMed — Wikipedia — Google

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) 2.61 -1.47 -46.71 3 1 1 27 205.108 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PNMT-1-E Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic Eukaryotes 6700 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PNMT_BOVIN P10938 Phenylethanolamine N-methyltransferase, Bovin 6700 0.60 Binding ≤ 10μM

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