| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2010 | 15 | Yes |
Popular Name: (3S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]butan-1-amine (3S)-3-[(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) | 2.03 | 5.99 | -108.44 | 4 | 2 | 2 | 32 | 212.381 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 5.6 | -30.87 | 3 | 2 | 1 | 30 | 211.373 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.03 | 4.55 | -41.93 | 3 | 2 | 1 | 31 | 211.373 | 3 | ↓ |
