| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2010 | 18 | Yes |
Popular Name: [6-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-pyridyl]methanamine [6-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-…
| 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) | 2.68 | 6.63 | -41.34 | 3 | 3 | 1 | 44 | 246.378 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 6.22 | -4.08 | 2 | 3 | 0 | 42 | 245.37 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 6.52 | -24.91 | 3 | 3 | 1 | 43 | 246.378 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 6.92 | -106.28 | 4 | 3 | 2 | 45 | 247.386 | 2 | ↓ |
