In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 20 | No |
Popular Name: (3R)-1-(4-fluorophenyl)-3-piperazin-1-yl-pyrrolidine-2,5-dione (3R)-1-(4-fluorophenyl)-3-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) | -0.17 | 3.53 | -51.07 | 2 | 5 | 1 | 57 | 278.307 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.17 | 2.13 | -9.46 | 1 | 5 | 0 | 53 | 277.299 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.17 | 1.97 | -10.18 | 1 | 5 | 0 | 53 | 277.299 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.17 | 4.38 | -47.4 | 2 | 5 | 1 | 54 | 278.307 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.17 | 5.79 | -137.5 | 3 | 5 | 2 | 58 | 279.315 | 2 | ↓ |