| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 21 | Yes |
Popular Name: (3S,4R)-3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]chroman-4-amine (3S,4R)-3-[(4aS,8aS)-3,4,4a,5,6,…
| 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) | 1.60 | 6.98 | -34.3 | 3 | 3 | 1 | 40 | 287.427 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 7.41 | -132.09 | 4 | 3 | 2 | 41 | 288.435 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 5.8 | -45.53 | 3 | 3 | 1 | 40 | 287.427 | 1 | ↓ |
