| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 16 | Yes |
Popular Name: (2R)-4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-methyl-butan-2-amine (2R)-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) | 3.01 | 7.85 | -106.85 | 3 | 2 | 2 | 21 | 226.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 6.72 | -31.4 | 2 | 2 | 1 | 16 | 225.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 5.6 | -35.7 | 2 | 2 | 1 | 20 | 225.4 | 4 | ↓ |
