| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | Yes |
Popular Name: (3aR,5S,7aS)-2-(2-methylpyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (3aR,5S,7aS)-2-(2-methylpyrimidi…
| 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) | 0.46 | 4.93 | -52.55 | 3 | 4 | 1 | 57 | 233.339 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 5.37 | -88.77 | 4 | 4 | 2 | 58 | 234.347 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
