| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: (4S,4aR,8aS)-4-methyl-N-(4-pyridyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide (4S,4aR,8aS)-4-methyl-N-(4-pyrid…
| 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) | 3.05 | 7.22 | -8.72 | 1 | 4 | 0 | 45 | 273.38 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 7.68 | -34.66 | 2 | 4 | 1 | 46 | 274.388 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
