| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2006 | 26 | 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) | -0.01 | 4.68 | -14.84 | 1 | 8 | 0 | 107 | 372.406 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.01 | 4.96 | -53.68 | 2 | 8 | 1 | 108 | 373.414 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[2-[2,4-diketo-5-(3-pyridylmethylene)thiazolidin-3-yl]ethyl]isoxazole-4-carboxamide](http://zinc12.docking.org/img/rings/251400.gif)