| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 17 | Yes |
Popular Name: [(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(4-pyridyl)methanone [(3aR,7aS)-1,3,3a,4,7,7a-hexahyd…
| 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) | 1.14 | 6.36 | -10.26 | 0 | 3 | 0 | 33 | 228.295 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
