| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2009 | 19 | No |
Popular Name: 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]pyridine-3-carbothioamide 2-[(4aR,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) | 3.18 | 7.83 | -11.06 | 2 | 3 | 0 | 42 | 275.421 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 8.3 | -40.88 | 3 | 3 | 1 | 43 | 276.429 | 2 | ↓ |
