| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: 2-(isopropylamino)-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone 2-(isopropylamino)-1-[4-(4-pyrid…
| 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) | 0.12 | 3.9 | -43.32 | 2 | 5 | 1 | 53 | 277.392 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | 2.68 | -10.19 | 1 | 5 | 0 | 48 | 276.384 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | 6.12 | -107.79 | 3 | 5 | 2 | 54 | 278.4 | 5 | ↓ |
