| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 20 | Yes |
Popular Name: 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-6-chloro-benzamidine 2-[(4aS,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) | 3.29 | 7.55 | -28.4 | 4 | 3 | 1 | 55 | 292.834 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 7.56 | -4.11 | 3 | 3 | 0 | 53 | 291.826 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
