| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(o-tolyl)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) | 0.54 | 6.94 | -113.01 | 4 | 4 | 2 | 52 | 277.412 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 6.56 | -39.41 | 3 | 4 | 1 | 51 | 276.404 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 5.14 | -49.35 | 3 | 4 | 1 | 51 | 276.404 | 4 | ↓ |
