| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: [4-(3-aminopropyl)piperazin-1-yl]-(2-hydroxy-4-methoxy-phenyl)methanone [4-(3-aminopropyl)piperazin-1-yl…
| 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) | 0.39 | 2.27 | -123.46 | 5 | 6 | 2 | 82 | 295.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 0.52 | -90.65 | 3 | 6 | 0 | 83 | 293.367 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | -0.32 | -54.05 | 4 | 6 | 1 | 81 | 294.375 | 5 | ↓ |
