| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2009 | 25 | Yes |
Popular Name: (3R)-3-(4-allylpiperazine-1-carbonyl)-1-(2,6-dimethylphenyl)pyrrolidin-2-one (3R)-3-(4-allylpiperazine-1-carb…
| 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) | 2.55 | 8.78 | -14.02 | 0 | 5 | 0 | 44 | 341.455 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 10.97 | -69.63 | 1 | 5 | 0 | 51 | 341.455 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 8.74 | -59.34 | 0 | 5 | -1 | 50 | 340.447 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 11.03 | -44.46 | 1 | 5 | 1 | 45 | 342.463 | 4 | ↓ |
