| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 27 | No |
Popular Name: BRD-A06090337-001-01-4 BRD-A06090337-001-01-4
2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4-thien-3-yl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
| 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) | 2.68 | 9.71 | -26.45 | 2 | 5 | 0 | 71 | 379.485 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 8.26 | -12.89 | 1 | 5 | 0 | 71 | 379.485 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 8.8 | -34.23 | 2 | 5 | 1 | 73 | 380.493 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.82 | 8.51 | -33.73 | 2 | 5 | 1 | 73 | 380.493 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.64 | 9.46 | -33.11 | 2 | 5 | 1 | 73 | 380.493 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
