UCSF

ZINC27302982

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 29 Yes

Popular Name: 2-[2-[4-(dioxoBLAHyl)piperazin-1-yl]ethoxy]ethanol 2-[2-[4-(dioxoBLAHyl)piperazin-1…

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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) 1.02 2.8 -19.1 1 7 0 82 415.515 6 ↓
Mid Mid (pH 6-8) 1.02 5.11 -55.65 2 7 1 84 416.523 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD2-4-E Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic Eukaryotes 132 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 132 0.33 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 132 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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

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