| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: 3-(isopropylamino)-1-[4-(2-pyridylmethyl)piperazin-1-yl]propan-1-one 3-(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) | 0.51 | 4.82 | -46.61 | 2 | 5 | 1 | 53 | 291.419 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 4.83 | -84.07 | 3 | 5 | 2 | 54 | 292.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 7.04 | -99.53 | 3 | 5 | 2 | 54 | 292.427 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.51 | 7.03 | -180.2 | 4 | 5 | 3 | 55 | 293.435 | 6 | ↓ |
