| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | Yes |
Popular Name: (1S,8aR)-N-(6-quinolylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(6-quinolylmethyl)-1,…
| 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) | 2.52 | 8.98 | -122.85 | 3 | 3 | 2 | 34 | 283.419 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 7.83 | -37.82 | 2 | 3 | 1 | 29 | 282.411 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 5.57 | -6.07 | 1 | 3 | 0 | 28 | 281.403 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 6.72 | -49.35 | 2 | 3 | 1 | 33 | 282.411 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | 8.27 | -72.84 | 3 | 3 | 2 | 31 | 283.419 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
