| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: 4-[(1S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(1R,8aR)-1,2,3,5,6,7…
| 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) | 2.86 | 8.75 | -36.89 | 2 | 3 | 1 | 40 | 270.4 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 7.6 | -46.11 | 2 | 3 | 1 | 44 | 270.4 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.86 | 9.85 | -122.54 | 3 | 3 | 2 | 45 | 271.408 | 3 | ↓ |
