| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 24 | No |
Popular Name: 5-[(3S)-dithiolan-3-yl]-1-[4-(2-pyridylmethyl)piperazin-1-yl]pentan-1-one 5-[(3S)-dithiolan-3-yl]-1-[4-(2-…
| 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) | 2.48 | 9.44 | -14.68 | 0 | 4 | 0 | 36 | 365.568 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 10.17 | -41.99 | 1 | 4 | 1 | 38 | 366.576 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 11.65 | -48.7 | 1 | 4 | 1 | 38 | 366.576 | 7 | ↓ |
![5-(dithiolan-3-yl)-1-[4-(2-pyridylmethyl)piperazino]pentan-1-one](http://zinc12.docking.org/img/rings/602393.gif)
