| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(3-pyridyl)methanone [4-(2-aminoethyl)-1,4-diazepan-1…
| 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) | -1.37 | 1.92 | -52.15 | 3 | 5 | 1 | 64 | 249.338 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.37 | 3.7 | -126.34 | 4 | 5 | 2 | 65 | 250.346 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.37 | 3.31 | -42.8 | 3 | 5 | 1 | 64 | 249.338 | 3 | ↓ |
