| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-1-(4-methylpiperazin-1-yl)ethanone 2-[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) | -1.18 | 1.95 | -91.62 | 4 | 6 | 2 | 59 | 299.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.18 | -0.29 | -46.07 | 3 | 6 | 1 | 58 | 298.455 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.18 | 4.31 | -156.93 | 5 | 6 | 3 | 60 | 300.471 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.18 | 3.96 | -164.44 | 5 | 6 | 3 | 60 | 300.471 | 5 | ↓ |
