UCSF

ZINC05833744

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 17 No

Popular Name: 1,2-Benzenediol, 4-(1-propyl-3-piperidinyl)-, hydrobromide; 4-(1-Propyl-3-piperidinyl)-1,2-benzenediol hydrobromide; LS-30026; N-Propyl-3-(3',4'-dihydroxyphenyl)piperidine hydrobromide 1,2-Benzenediol, 4-(1-propyl-3-p…

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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) 2.72 -1.62 -39.8 3 3 1 44 236.335 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 12 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 11 0.66 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 11 0.66 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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