| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 20 | No |
Popular Name: (3R)-3-[[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(2S)-3-methyl-2-(4-meth…
| 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) | -0.32 | 1.72 | -38.9 | 3 | 6 | 1 | 66 | 283.396 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | -0.11 | -7.8 | 2 | 6 | 0 | 65 | 282.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | 1.45 | -40.1 | 3 | 6 | 1 | 66 | 283.396 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.14 | -2.51 | -38.05 | 2 | 6 | 0 | 76 | 282.388 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.14 | -0.25 | -84.96 | 3 | 6 | 1 | 77 | 283.396 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.32 | 1.36 | -134.18 | 4 | 6 | 2 | 70 | 284.404 | 5 | ↓ |
