UCSF

ZINC08870911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 20 Yes

Popular Name: Ethyl 4-Hydroxy-6-(trifluoromethyl)Quinoline-3-carboxylate Ethyl 4-Hydroxy-6-(trifluorometh…

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CAS Numbers: 26893-12-9 , [26893-12-9]

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) 1.71 7.79 -29.17 1 4 0 59 285.221 4 ↓
Hi High (pH 8-9.5) 3.01 7.36 -37.21 0 4 -1 62 284.213 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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 122 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 122 0.48 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 122 0.48 Binding ≤ 10μM

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

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