| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 24 | No |
Popular Name: (5E)-2-(2-pyridylamino)-5-(6-quinolylmethylene)thiazol-4-one (5E)-2-(2-pyridylamino)-5-(6-qui…
| 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) | 3.23 | 8.17 | -23.87 | 1 | 5 | 0 | 68 | 332.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 7.76 | -50.41 | 0 | 5 | -1 | 70 | 331.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 8.48 | -22.19 | 1 | 5 | 0 | 71 | 332.388 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 7.77 | -50.16 | 0 | 5 | -1 | 69 | 331.38 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 8.87 | -40.69 | 2 | 5 | 1 | 69 | 333.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 8.45 | -44.19 | 2 | 5 | 1 | 69 | 333.396 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 9.15 | -74.03 | 3 | 5 | 2 | 70 | 334.404 | 3 | ↓ |
