| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: 4-[4-(5-methyl-2-pyridyl)-1,4-diazepan-1-yl]butan-1-amine 4-[4-(5-methyl-2-pyridyl)-1,4-di…
| 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) | 1.10 | 7.89 | -162.7 | 5 | 4 | 3 | 49 | 265.425 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 5.75 | -45.46 | 3 | 4 | 1 | 47 | 263.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 7.53 | -103.64 | 4 | 4 | 2 | 48 | 264.417 | 5 | ↓ |
