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]
6-ethyl-4-hydroxy-quinoline-3-carboxylicacid
6-ethyl-4-hydroxyquinoline-3-carboxylic acid
6-Ethyl-4-hydroxyquinoline-3-carboxylicacid
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 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP | 387° | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
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 |
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 |