| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 16 | Yes |
Popular Name: 3-[[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]amino]propanamide 3-[[2-(4-methylpiperazin-1-yl)-2…
| 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) | -2.01 | -1.79 | -47.2 | 4 | 6 | 1 | 83 | 229.304 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.01 | -3.15 | -11.53 | 3 | 6 | 0 | 79 | 228.296 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.01 | -0.8 | -47.24 | 4 | 6 | 1 | 80 | 229.304 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.01 | 0.55 | -102.05 | 5 | 6 | 2 | 84 | 230.312 | 5 | ↓ |
