| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 35 | No |
Popular Name: N-[6-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide N-[6-[4-[(4-nitrophenyl)methyl]-…
| 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 | 12.29 | -63.7 | 2 | 10 | 1 | 114 | 476.513 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.48 | -17.9 | 1 | 10 | 0 | 113 | 475.505 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.82 | -48.48 | 2 | 10 | 1 | 114 | 476.513 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.61 | 12.64 | -125.36 | 3 | 10 | 2 | 115 | 477.521 | 6 | ↓ |
