| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 29 | No |
Popular Name: 4-[hydroxy-(4-pyridyl)methylene]-5-(3-nitrophenyl)-1-thiazol-2-yl-pyrrolidine-2,3-dione 4-[hydroxy-(4-pyridyl)methylene]…
| 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) | 1.78 | 8.84 | -48.57 | 0 | 9 | -1 | 132 | 407.387 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 8.02 | -22.7 | 1 | 9 | 0 | 129 | 408.395 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 8.39 | -17.85 | 0 | 9 | 0 | 126 | 408.395 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 8.27 | -60.35 | 2 | 9 | 1 | 130 | 409.403 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 8.67 | -52.59 | 1 | 9 | 1 | 127 | 409.403 | 5 | ↓ |
