| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2004 | 27 | No |
Popular Name: [(5E)-4-keto-5-vanillylidene-2-thiazolin-2-yl]-[2-(trifluoromethyl)phenyl]azanide [(5E)-4-keto-5-vanillylidene-2-t…
| 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) | 4.83 | 6.74 | -12.44 | 2 | 5 | 0 | 75 | 394.374 | 4 | ↓ |
| Ref Reference (pH 7) | 4.34 | 6.34 | -41.47 | 1 | 5 | -1 | 74 | 393.366 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.29 | 5.19 | -42.6 | 1 | 5 | -1 | 78 | 393.366 | 4 | ↓ |
