| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | No |
Popular Name: (3aS,7aR)-2-[2-[(1S)-1-(methylamino)ethyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[2-[(1S)-1-(methylam…
| 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) | 2.77 | 8.06 | -42.08 | 2 | 4 | 1 | 54 | 287.383 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 6.85 | -8.45 | 1 | 4 | 0 | 49 | 286.375 | 3 | ↓ |
