| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 14 | Yes |
Popular Name: (4aS,8aR)-1-(azetidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aR)-1-(azetidin-3-yl)-3,4,…
| 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) | 2.15 | 5.71 | -112.09 | 3 | 2 | 2 | 21 | 196.338 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 1.93 | -0.86 | 1 | 2 | 0 | 15 | 194.322 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 3.6 | -37.87 | 2 | 2 | 1 | 20 | 195.33 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 4.04 | -29.98 | 2 | 2 | 1 | 16 | 195.33 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
