UCSF

ZINC03621216

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 Yes

Popular Name: LS-125653; N,N-Dimethyl-3-phenoxypropylamine hydrochloride; Phenyl 3-dimethylaminopropyl ether hydrochloride; Propylamine, N,N-dimethyl-3-phenoxy-, hydrochloride LS-125653; N,N-Dimethyl-3-phenox…

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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) 2.29 1.88 -36.52 1 2 1 13 180.271 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-3-E Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 4850 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 4850 0.57 Binding ≤ 10μM

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