| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: (3R)-3-[[(1S)-1-(4-pyridyl)ethyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1S)-1-(4-pyridyl)ethyl…
| 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) | -0.69 | 0.09 | -10.13 | 2 | 5 | 0 | 71 | 219.244 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 0.09 | -11.65 | 2 | 5 | 0 | 71 | 219.244 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.50 | -1.47 | -45.07 | 2 | 5 | 0 | 82 | 219.244 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.69 | 0.55 | -43.61 | 3 | 5 | 1 | 72 | 220.252 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.69 | 0.54 | -38.97 | 3 | 5 | 1 | 72 | 220.252 | 3 | ↓ |
