| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 33 | No |
| 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) | 3.98 | 11.85 | -59.42 | 4 | 7 | 1 | 89 | 477.639 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 11.39 | -22.01 | 3 | 7 | 0 | 88 | 476.631 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-(2,3-dihydro-1,3-benzothiazol-2-yl)-4-[[2-(1H-imidazol-4-yl)ethylamino]methylene]-5-[(phenylthio)methyl]-2-pyrazolin-3-one](http://zinc12.docking.org/img/rings/100774.gif)