| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone 1-[4-(3-aminopropyl)-1,4-diazepa…
| 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) | 0.85 | 7.4 | -120.1 | 4 | 4 | 2 | 52 | 295.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 7.02 | -44.9 | 3 | 4 | 1 | 51 | 294.394 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 5.6 | -52.51 | 3 | 4 | 1 | 51 | 294.394 | 5 | ↓ |
