| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 29 | 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) | 5.66 | 11.37 | -11.05 | 1 | 5 | 0 | 63 | 443.359 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.12 | 9.05 | -51.21 | 0 | 5 | -1 | 66 | 442.351 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.12 | 9.52 | -47.47 | 0 | 5 | -1 | 66 | 442.351 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.66 | 11.35 | -51.64 | 2 | 5 | 1 | 64 | 444.367 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-phenylimino-5-[[1-(4-pyridyl)pyrrol-3-yl]methylene]thiazolidin-4-one](http://zinc12.docking.org/img/rings/229498.gif)