UCSF

ZINC13491196

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 20 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) 4.32 7.09 -11.1 1 3 0 50 266.296 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-4-O GABA-A Receptor; Anion Channel (cluster #4 Of 8), Other Other 8 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 7.8 0.57 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 7.8 0.57 Binding ≤ 10μM

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