In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2008 | 23 | No |
Popular Name: (3R)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(p-tolyl)pyrrolidine-2,5-dione (3R)-3-[4-(2-hydroxyethyl)pipera…
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) | 0.08 | 1.53 | -12.79 | 1 | 6 | 0 | 64 | 317.389 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.08 | 3.81 | -44.51 | 2 | 6 | 1 | 65 | 318.397 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.08 | 3.81 | -44.6 | 2 | 6 | 1 | 65 | 318.397 | 4 | ↓ |