UCSF

ZINC26580237

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 25 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) 3.69 6.42 -40.28 0 6 -1 72 348.773 1
Lo Low (pH 4.5-6) 3.69 5.85 -14.05 1 6 0 69 349.781 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 14 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 14 0.44 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 14 0.44 Binding ≤ 10μM

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