| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 20 | Yes |
Popular Name: (2S)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-amino-2-phenyl-ethanone (2S)-1-[(4aR,8aS)-3,4,4a,5,6,7,8…
| 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) | 1.06 | 6.82 | -43.16 | 3 | 3 | 1 | 48 | 273.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 6.48 | -8.17 | 2 | 3 | 0 | 46 | 272.392 | 2 | ↓ |
