| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 27 | No |
Popular Name: 5-(4-hydroxyphenyl)-4-[hydroxy-(4-pyridyl)methylene]-1-thiazol-2-yl-pyrrolidine-2,3-dione 5-(4-hydroxyphenyl)-4-[hydroxy-(…
| 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) | 1.36 | 5.38 | -59.69 | 1 | 7 | -1 | 106 | 378.389 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 6.16 | -106.75 | 0 | 7 | -2 | 109 | 377.381 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 4.5 | -24.57 | 2 | 7 | 0 | 104 | 379.397 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 4.87 | -16.32 | 1 | 7 | 0 | 100 | 379.397 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 5.14 | -48.83 | 2 | 7 | 1 | 102 | 380.405 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | 4.74 | -55.99 | 3 | 7 | 1 | 105 | 380.405 | 4 | ↓ |
