| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 20 | Yes |
Popular Name: 2-[3-[[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]methyl]phenoxy]acetonitrile 2-[3-[[[(1S,8R)-2,3,5,6,7,8-hexa…
| 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) | 1.85 | 5.17 | -47.04 | 2 | 4 | 1 | 53 | 272.372 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 3.99 | -8.53 | 1 | 4 | 0 | 48 | 271.364 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 6.5 | -38.46 | 2 | 4 | 1 | 49 | 272.372 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 7.67 | -115.9 | 3 | 4 | 2 | 54 | 273.38 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
