UCSF

ZINC05784460

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 13 No

Popular Name: 1,2-Naphthalenediol, 5,6,7,8-tetrahydro-6-amino-, hydrobromide; 2-Naphthylamine, 1,2,3,4-tetrahydro-5,6-dihydroxy-, hydrobromide; 2-amino-5,6-dihydroxytetralin, hydrobromide; 6-Amino-5,6,7,8-tetrahydro-1,2-naphthalenediol hydrobromide; C10H13NO2.HBr; LS-9 1,2-Naphthalenediol, 5,6,7,8-tet…

Find On: PubMed — Wikipedia — Google

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) 0.73 -5.51 -52.8 5 3 1 68 180.227 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 4400 0.58 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 700 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 700 0.66 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 700 0.66 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 4400 0.58 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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