| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: 3-(isopropylamino)-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one 3-(isopropylamino)-1-[4-(3-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) | 0.45 | 4.48 | -46.65 | 2 | 5 | 1 | 53 | 291.419 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 6.69 | -105.13 | 3 | 5 | 2 | 54 | 292.427 | 6 | ↓ |
