| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 16 | No |
Popular Name: (3R)-3-[[(1S)-2-(diethylamino)-1-methyl-ethyl]amino]pyrrolidine-2,5-dione (3R)-3-[[(1S)-2-(diethylamino)-1…
| 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) | -0.24 | 1.59 | -35.77 | 3 | 5 | 1 | 63 | 228.316 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | -1.89 | -38.75 | 2 | 5 | 0 | 72 | 227.308 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | -0.01 | -5.95 | 2 | 5 | 0 | 61 | 227.308 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | -0.21 | -7 | 2 | 5 | 0 | 61 | 227.308 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.24 | 2.13 | -121.42 | 4 | 5 | 2 | 67 | 229.324 | 6 | ↓ |
