UCSF

ZINC26028893

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 15 No

Other Names:

MFCD18803830

N/A

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) 2.62 5.07 -44.25 2 3 1 47 197.217 1
Mid Mid (pH 6-8) 2.62 4.68 -11.27 1 3 0 46 196.209 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 62 0.67 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 62.3 0.67 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 62.3 0.67 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.