| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 20 | Yes |
Popular Name: (4aS,8aS)-2-[(1-propylimidazol-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (4aS,8aS)-2-[(1-propylimidazol-2…
| 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) | 2.12 | 6.32 | -28.79 | 2 | 4 | 1 | 43 | 278.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 5.2 | -6.66 | 1 | 4 | 0 | 41 | 277.412 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 6.99 | -35.09 | 2 | 4 | 1 | 42 | 278.42 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.12 | 7.71 | -103.79 | 3 | 4 | 2 | 44 | 279.428 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
