| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: 2-[4-(4-aminobutyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide 2-[4-(4-aminobutyl)-1,4-diazepan…
| 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 | 4.14 | -97.64 | 6 | 6 | 2 | 91 | 293.415 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | 2.36 | -48.86 | 5 | 6 | 1 | 90 | 292.407 | 6 | ↓ |
