| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 26 | Yes |
Popular Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-2-carboxamide N-[(4-fluorophenyl)methyl]-3-hyd…
| 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) | 2.99 | 7.43 | -12.55 | 2 | 6 | 0 | 84 | 369.377 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.99 | 8.37 | -57.2 | 1 | 6 | -1 | 87 | 368.369 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 7.9 | -35.8 | 3 | 6 | 1 | 85 | 370.385 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Pyrimido[2,1-b][1,3]benzothiazol-4-one](http://zinc12.docking.org/img/rings/244912.gif)
![N-benzyl-4-keto-pyrimido[2,1-b][1,3]benzothiazole-2-carboxamide](http://zinc12.docking.org/img/rings/366494.gif)