| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 20 | No |
Popular Name: (3S)-3-[2-(azepan-1-yl)ethylamino]-1-isopropyl-pyrrolidine-2,5-dione (3S)-3-[2-(azepan-1-yl)ethylamin…
| 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) | 1.00 | 5.6 | -40.79 | 2 | 5 | 1 | 54 | 282.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 3.77 | -6.14 | 1 | 5 | 0 | 53 | 281.4 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 6.85 | -129.9 | 3 | 5 | 2 | 58 | 283.416 | 5 | ↓ |
![3-[2-(azepan-1-yl)ethylamino]pyrrolidine-2,5-quinone](http://zinc12.docking.org/img/rings/517061.gif)
