| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 16 | No |
Popular Name: 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]butane-1,3-dione 1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-o…
| 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) | 1.77 | 8.29 | -16.18 | 0 | 3 | 0 | 37 | 223.316 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 7.14 | -53.3 | 0 | 3 | -1 | 43 | 222.308 | 1 | ↓ |
