| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 27 | Yes |
Popular Name: (3R)-4-isobutyl-3-[2-oxo-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]piperazin-2-one (3R)-4-isobutyl-3-[2-oxo-2-[4-(2…
| 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) | 1.38 | 4.58 | -40.78 | 2 | 7 | 1 | 70 | 374.509 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 2.92 | -13.58 | 1 | 7 | 0 | 69 | 373.501 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 4.96 | -82.38 | 3 | 7 | 2 | 71 | 375.517 | 6 | ↓ |
