| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-(4-methylpiperazin-1-yl)ethanone 2-[4-(2-aminoethyl)-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) | -1.45 | 0.73 | -96.01 | 4 | 6 | 2 | 59 | 285.436 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.45 | -1.16 | -46.72 | 3 | 6 | 1 | 58 | 284.428 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.45 | 0.34 | -37.33 | 3 | 6 | 1 | 57 | 284.428 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.45 | 3.08 | -160.45 | 5 | 6 | 3 | 60 | 286.444 | 4 | ↓ |
