| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 16 | Yes |
Popular Name: (3S)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]pentan-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) | 2.57 | 6.5 | -110.59 | 4 | 2 | 2 | 32 | 226.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 6.11 | -29.65 | 3 | 2 | 1 | 30 | 225.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 5.16 | -42.42 | 3 | 2 | 1 | 31 | 225.4 | 4 | ↓ |
