In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 29 | Yes |
Popular Name: (3R)-3-[2-(2,2-diallyl-1-piperidyl)-2-oxo-ethyl]-4-(3-pyridylmethyl)piperazin-2-one (3R)-3-[2-(2,2-diallyl-1-piperid…
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) | 3.10 | -0.54 | -48.92 | 2 | 6 | 1 | 67 | 397.543 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | -0.43 | -117.04 | 3 | 6 | 2 | 68 | 398.551 | 8 | ↓ |