UCSF

ZINC26379602

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 23 Yes

Popular Name: 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one 8-fluoro-5-methyl-3-(5-methyl-1,…

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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) 0.38 6.07 -16.66 0 7 0 77 313.292 1 ↓
Lo Low (pH 4.5-6) 0.38 6.51 -44.7 1 7 1 78 314.3 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 21 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 21 0.47 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 21 0.47 Binding ≤ 10μM

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