UCSF

ZINC13755382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 19 Yes

Popular Name: ethyl 3-oxo-1,2,3,5-tetrahydropyrido[1,2-a]benzimidazole-4-carboxylate ethyl 3-oxo-1,2,3,5-tetrahydropy…

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Other Names:

MFCD00846512

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) 1.87 7.58 -50.93 0 5 -1 67 257.269 3 ↓
Lo Low (pH 4.5-6) 1.87 7.25 -26.06 2 5 1 66 259.285 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 840 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 675 0.45 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 675 0.45 Binding ≤ 10μM

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

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