| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2008 | 28 | No |
Popular Name: (3S)-1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (3S)-1-(3-chlorophenyl)-3-[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) | 2.62 | 8.26 | -12.7 | 0 | 6 | 0 | 53 | 399.878 | 4 | ↓ |
| Ref Reference (pH 7) | 2.62 | 8.02 | -12.02 | 0 | 6 | 0 | 53 | 399.878 | 4 | ↓ |
| Ref Reference (pH 7) | 4.50 | 5.93 | -8.68 | 2 | 6 | 0 | 61 | 399.878 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.50 | 6.69 | -52.19 | 1 | 6 | -1 | 64 | 398.87 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 10.43 | -51.52 | 1 | 6 | 1 | 54 | 400.886 | 4 | ↓ |
