| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: 5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-ethyl-1,2,4-triazole-3-thiol 5-[(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) | 2.53 | 10.78 | -9.83 | 1 | 4 | 0 | 37 | 266.414 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 10.91 | -45.19 | 0 | 4 | -1 | 34 | 265.406 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 11 | -41.44 | 1 | 4 | 0 | 35 | 266.414 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
