| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 36 | Yes |
None
| 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) | 4.94 | 13.29 | -37.26 | 1 | 7 | 1 | 45 | 504.659 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.94 | 10.96 | -8.38 | 0 | 7 | 0 | 44 | 503.651 | 6 | ↓ |
![2-(4-phenylpiperazino)-5-[2-[(4-phenylpiperazino)methyl]pyrrol-1-yl]-1,3,4-thiadiazole](http://zinc12.docking.org/img/rings/86823.gif)
