UCSF

ZINC27077579

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 23 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) 1.53 8.48 -57.96 1 6 -1 83 305.317 2
Mid Mid (pH 6-8) 0.80 8.45 -58.1 1 6 -1 83 305.317 2
Lo Low (pH 4.5-6) 0.78 8.5 -43.43 2 6 1 78 307.333 2

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 59 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 36 0.45 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 36 0.45 Binding ≤ 10μM

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

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