| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: 2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-5-chloro-benzonitrile 2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
| 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) | 3.87 | 8.6 | -41.05 | 2 | 3 | 1 | 40 | 276.791 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.87 | 6.45 | -4.2 | 1 | 3 | 0 | 39 | 275.783 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
