| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: (3S)-3-amino-4-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-butanamide (3S)-3-amino-4-[4-[2-(dimethylam…
| 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) | -2.45 | -3.46 | -46.5 | 5 | 8 | 1 | 115 | 286.356 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.45 | -3.83 | -18.38 | 4 | 8 | 0 | 113 | 285.348 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.45 | -1.31 | -105.22 | 6 | 8 | 2 | 116 | 287.364 | 5 | ↓ |
