| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 22 | Yes |
Popular Name: 6-Isopropyl-2-pyridin-3-ylquinoline-4-carboxylic acid 6-Isopropyl-2-pyridin-3-ylquinol…
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CAS Numbers: , 897561-18-1
4-quinolinecarboxylic acid, 6-(1-methylethyl)-2-(3-pyridinyl)-
6-(propan-2-yl)-2-(pyridin-3-yl)quinoline-4-carboxylic acid
| 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) | 4.05 | 0.36 | -53.76 | 0 | 4 | -1 | 65 | 291.33 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 0.47 | -64.2 | 1 | 4 | 0 | 63 | 292.338 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.