| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 19 | Yes |
Popular Name: 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]pyridine-3-carboxamidine 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-o…
| 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) | 1.76 | 6.41 | -34.11 | 4 | 4 | 1 | 68 | 259.377 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 7.41 | -5.41 | 3 | 4 | 0 | 66 | 258.369 | 2 | ↓ |
