| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 20 | Yes |
Popular Name: 2-(4-bromophenyl)quinoline-4-carboxylic acid 2-(4-bromophenyl)quinoline-4-car…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 103914-52-9 , [103914-52-9]
2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid
2-(4-Bromo-phenyl)-quinoline-4-carboxylicacid
2-(4-Bromo-phenyl)quinoline-4-carboxylic acid
2-(4-bromophenyl)-4-quinolinecarboxylic acid
4-quinolinecarboxylic acid, 2-(4-bromophenyl)-
| 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) | 4.45 | -0.38 | -48.72 | 0 | 3 | -1 | 53 | 327.157 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 209 - 211 | Enamine Building Blocks |
| MP | 209...211 | Enamine Building Blocks |
| MP | 241 - 243 | Enamine Building Blocks |
| mp | 327 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SYPC-1-F | Prolyl-tRNA Synthetase (cluster #1 Of 1), Fungal | Fungi | 500 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SYPC_CANAX | P78600 | Prolyl-tRNA Synthetase, Canax | 500 | 0.44 | Binding ≤ 1μM |
| SYPC_CANAX | P78600 | Prolyl-tRNA Synthetase, Canax | 500 | 0.44 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.