| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(3,4-difluorophenyl)methanone [4-(3-aminopropyl)-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) | 0.40 | 6.35 | -119.32 | 4 | 4 | 2 | 52 | 299.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 5.97 | -45.44 | 3 | 4 | 1 | 51 | 298.357 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 4.56 | -49.17 | 3 | 4 | 1 | 51 | 298.357 | 4 | ↓ |
