UCSF

ZINC05821169

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 18 No

Popular Name: 4-(2-(N-Butyl-N-propylamino)ethyl)pyrocatechol hydrochloride; 4-(2-N-n-Propyl-N-n-butylaminoethyl)-1,2-benzenediol hydrochloride; C15H25NO2.HCl; LS-136417; N-Butyl-N-propyldopamine hydrochloride; N-Propyl-N-butyl-beta-(3,4-dihydroxyphenyl)ethylamine hydro 4-(2-(N-Butyl-N-propylamino)ethy…

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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) 3.50 -0.85 -42.07 3 3 1 44 252.378 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 48 0.57 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 48 0.57 Functional ≤ 10μM

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