UCSF

ZINC26025592

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 19 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) 1.33 2.63 -39.31 4 5 1 79 261.301 3
Mid Mid (pH 6-8) 1.33 1.38 -11.17 3 5 0 74 260.293 3

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 510 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 510 0.46 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 5000 0.39 Binding ≤ 10μM

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