| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: 2-[2-[[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]phenoxy]acetonitrile 2-[2-[[[(1S,8aR)-1,2,3,5,6,7,8,8…
| 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) | 2.33 | 7.52 | -33.59 | 2 | 4 | 1 | 49 | 286.399 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 5.26 | -7.45 | 1 | 4 | 0 | 48 | 285.391 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 8.68 | -107.76 | 3 | 4 | 2 | 54 | 287.407 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
