| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: 2-(isopropylamino)-1-[4-(2-pyridylmethyl)piperazin-1-yl]ethanone 2-(isopropylamino)-1-[4-(2-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) | 0.24 | 3.83 | -42.01 | 2 | 5 | 1 | 53 | 277.392 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 2.63 | -9.69 | 1 | 5 | 0 | 48 | 276.384 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 4.55 | -81.41 | 3 | 5 | 2 | 54 | 278.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 6.04 | -98.82 | 3 | 5 | 2 | 54 | 278.4 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.24 | 6.8 | -181.85 | 4 | 5 | 3 | 55 | 279.408 | 5 | ↓ |
