| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 18 | No |
Popular Name: (2S)-2-(4-methylthiazol-2-yl)-3-(1-oxidopyridin-1-ium-3-yl)-3-oxo-propanenitrile (2S)-2-(4-methylthiazol-2-yl)-3-…
| 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) | -0.76 | 5.32 | -26.16 | 0 | 5 | 0 | 79 | 259.29 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 4.34 | -41.2 | 0 | 5 | -1 | 85 | 258.282 | 2 | ↓ |
