| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 17 | Yes |
Popular Name: (2S)-4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-ethyl-butan-2-amine (2S)-4-[(4aS,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) | 3.39 | 8.69 | -106.64 | 3 | 2 | 2 | 21 | 240.435 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 7.65 | -31.34 | 2 | 2 | 1 | 16 | 239.427 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 6.45 | -34.03 | 2 | 2 | 1 | 20 | 239.427 | 5 | ↓ |
