| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: 2-[(3aR,5R,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-chloro-benzonitrile 2-[(3aR,5R,7aS)-5-amino-1,3,3a,4…
| 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) | 2.54 | 7.34 | -54.17 | 3 | 3 | 1 | 55 | 276.791 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
