| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 20 | Yes |
Popular Name: 3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-piperazin-1-yl-propan-1-one 3-[(4aS,8aR)-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) | 1.55 | 7.52 | -100.58 | 3 | 4 | 2 | 41 | 281.444 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.55 | 6.23 | -41.53 | 2 | 4 | 1 | 37 | 280.436 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
