| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2011 | 24 | No |
Popular Name: (3aS,7aR)-2-[4-(diethylamino)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,7aR)-2-[4-(diethylamino)phe…
| 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) | 4.16 | 10.68 | -6.52 | 0 | 4 | 0 | 41 | 326.44 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 10.76 | -24.31 | 1 | 4 | 0 | 42 | 327.448 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 10.77 | -25.93 | 1 | 4 | 0 | 42 | 327.448 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 10.75 | -24.31 | 1 | 4 | 0 | 42 | 327.448 | 4 | ↓ |
