| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2,4-difluorophenyl)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) | 0.13 | 3.84 | -52.1 | 3 | 4 | 1 | 51 | 284.33 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | 5.68 | -125.06 | 4 | 4 | 2 | 52 | 285.338 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | 5.29 | -41.95 | 3 | 4 | 1 | 51 | 284.33 | 3 | ↓ |
