| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[4-(2-aminoethyl)piperazin-1-yl]-1-(azepan-1-yl)propan-1-one (2S)-2-[4-(2-aminoethyl)piperazi…
| 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) | 0.13 | 3.93 | -94.84 | 4 | 5 | 2 | 56 | 284.448 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | 1.78 | -48.43 | 3 | 5 | 1 | 54 | 283.44 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.13 | 4.06 | -119.66 | 4 | 5 | 2 | 56 | 284.448 | 4 | ↓ |
