| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 30 | No |
Popular Name: 6-azepan-1-yl-2-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine 6-azepan-1-yl-2-(4-benzylpiperaz…
| 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) | 3.61 | 11.33 | -45.43 | 3 | 9 | 1 | 109 | 412.518 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 11.57 | -98.29 | 4 | 9 | 2 | 110 | 413.526 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 7.34 | -101.88 | 4 | 9 | 2 | 110 | 413.526 | 5 | ↓ |
