| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: 4-[4-(3-pyridylsulfonyl)-1,4-diazepan-1-yl]butan-1-amine 4-[4-(3-pyridylsulfonyl)-1,4-dia…
| 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) | -0.31 | 2.79 | -109.79 | 4 | 6 | 2 | 82 | 314.455 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.31 | 0.77 | -50.84 | 3 | 6 | 1 | 81 | 313.447 | 6 | ↓ |
