| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: 3-[4-(3-pyridylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine 3-[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) | -0.58 | -0.01 | -52.02 | 3 | 6 | 1 | 81 | 299.42 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 2 | -118.5 | 4 | 6 | 2 | 82 | 300.428 | 5 | ↓ |
