| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 24 | No |
Popular Name: 5-{4-hydroxy-3-nitrobenzylidene}-2-(phenylimino)-1,3-thiazolidin-4-one 5-{4-hydroxy-3-nitrobenzylidene}…
| 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) | 4.31 | 6.56 | -14.12 | 2 | 7 | 0 | 111 | 341.348 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 5.64 | -97.26 | 0 | 7 | -2 | 117 | 339.332 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.77 | 6.32 | -95.82 | 0 | 7 | -2 | 117 | 339.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 8.18 | -66.01 | 1 | 7 | -1 | 111 | 340.34 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 7.57 | -48.45 | 1 | 7 | -1 | 114 | 340.34 | 3 | ↓ |
