| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: (3S)-3-(1,4-diazepan-1-yl)-1-ethyl-pyrrolidine-2,5-dione (3S)-3-(1,4-diazepan-1-yl)-1-eth…
| 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) | -0.92 | 2.73 | -43.59 | 2 | 5 | 1 | 54 | 226.3 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.92 | 2.04 | -45.66 | 2 | 5 | 1 | 57 | 226.3 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.92 | 0.6 | -7 | 1 | 5 | 0 | 53 | 225.292 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.92 | 0.8 | -6.95 | 1 | 5 | 0 | 53 | 225.292 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.92 | 1.81 | -42.44 | 2 | 5 | 1 | 57 | 226.3 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.92 | 2.71 | -44.05 | 2 | 5 | 1 | 54 | 226.3 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.92 | 4.01 | -123.39 | 3 | 5 | 2 | 58 | 227.308 | 2 | ↓ |
