UCSF

ZINC26391291

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 22 Yes

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) 0.24 6.01 -17.27 0 7 0 77 295.302 1
Mid Mid (pH 6-8) 0.24 6.45 -41.11 1 7 1 78 296.31 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-1-O GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other Other 27 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 27 0.48 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 27 0.48 Binding ≤ 10μM

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