| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 16 | Yes |
Popular Name: (3aR,5R,7aS)-2-(2-pyridyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (3aR,5R,7aS)-2-(2-pyridyl)-1,3,3…
| 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) | 1.28 | 5.49 | -86.12 | 4 | 3 | 2 | 45 | 219.332 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 5.1 | -46.53 | 3 | 3 | 1 | 44 | 218.324 | 1 | ↓ |
