UCSF

ZINC05566749

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 13 No

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) 1.72 3.36 -47.86 1 3 -1 60 183.227 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99-1-E Gamma-hydroxybutyrate Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.92 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q6RY99_RAT Q6RY99 Gamma-hydroxybutyrate Receptor, Rat 3.3 0.91 Binding ≤ 1μM
Q6RY99_RAT Q6RY99 Gamma-hydroxybutyrate Receptor, Rat 3.3 0.91 Binding ≤ 10μM

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