UCSF

ZINC19522935

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 16 Yes

Popular Name: 6-Ethyl-4-hydroxy-quinoline-3-carboxylic acid 6-Ethyl-4-hydroxy-quinoline-3-ca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103802-41-1 , 103802-41-1; 35128-00-8 , 35128-00-8 , [35128-00-8]

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) 1.10 7.23 -69.26 1 4 -1 73 216.216 2 ↓
Lo Low (pH 4.5-6) 1.10 4.73 -37.52 2 4 0 76 217.224 2 ↓
Lo Low (pH 4.5-6) 2.40 5.38 -39.14 2 4 0 74 217.224 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 387° Matrix Scientific
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 208 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 208 0.58 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 208 0.58 Binding ≤ 10μM

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