| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2006 | 37 | Yes |
Popular Name: 2-(azepan-1-ylcarbonylmethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-isoquinolin-1-one 2-(azepan-1-ylcarbonylmethyl)-4-…
| 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) | 3.49 | -4.38 | -20.62 | 0 | 8 | 0 | 82 | 526.634 | 5 | ↓ |
