| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 16 | No |
Popular Name: (2S)-2-[[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]amino]propanoic (2S)-2-[[2-(4-methylpiperazin-1-…
| 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) | -2.54 | 1.95 | -40.44 | 2 | 6 | 0 | 80 | 229.28 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.54 | 0.76 | -50.85 | 1 | 6 | -1 | 76 | 228.272 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.54 | 4.36 | -86.46 | 3 | 6 | 1 | 81 | 230.288 | 4 | ↓ |
