| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 17 | Yes |
Popular Name: [(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-imidazol-1-yl-methanone [(4aS,8aS)-3,4,4a,5,6,7,8,8a-oct…
| 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) | 2.17 | 8.5 | -8.64 | 0 | 4 | 0 | 38 | 233.315 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 9 | -35.92 | 1 | 4 | 1 | 39 | 234.323 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
