| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 20 | Yes |
Popular Name: 4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-chloro-benzamidine 4-[(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) | 3.32 | 8.18 | -33.92 | 4 | 3 | 1 | 55 | 292.834 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 7.93 | -87.73 | 5 | 3 | 2 | 56 | 293.842 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
