UCSF

ZINC00001347

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 16 Yes

Popular Name: 1-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)piperazine hydrochloride 1-(2,3-Dihydrobenzo[b][1,4]dioxi…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 98206-09-8 , 98206-09-8; 98224-03-4 , 98224-03-4 , [98224-03-4]

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 4.17 -42.63 2 4 1 38 221.28 1 ↓
Hi High (pH 8-9.5) 1.02 2.86 -5.45 1 4 0 34 220.272 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

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 40 0.65 Binding ≤ 10μM
DRD2-4-E Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic Eukaryotes 1100 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 40 0.65 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 1100 0.52 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 40 0.65 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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