| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: [2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-chloro-phenyl]methanamine [2-[(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) | 4.12 | 8.48 | -45.79 | 3 | 2 | 1 | 31 | 279.835 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 8.07 | -1.36 | 2 | 2 | 0 | 29 | 278.827 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
