| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2009 | 24 | No |
Popular Name: (5E)-2-(4-bromoanilino)-5-(2-oxoindolin-3-ylidene)thiazol-4-one (5E)-2-(4-bromoanilino)-5-(2-oxo…
| 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) | 5.22 | 7.84 | -12.04 | 2 | 5 | 0 | 78 | 400.257 | 1 | ↓ |
| Ref Reference (pH 7) | 5.22 | 8.26 | -12.12 | 2 | 5 | 0 | 78 | 400.257 | 1 | ↓ |
| Hi High (pH 8-9.5) | 6.13 | 4.99 | -117.47 | 0 | 5 | -2 | 84 | 398.241 | 1 | ↓ |
| Hi High (pH 8-9.5) | 6.13 | 4.3 | -118.97 | 0 | 5 | -2 | 84 | 398.241 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.68 | 6.75 | -50.08 | 1 | 5 | -1 | 81 | 399.249 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.68 | 6.05 | -49.89 | 1 | 5 | -1 | 81 | 399.249 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.68 | 6.06 | -51.55 | 1 | 5 | -1 | 81 | 399.249 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.68 | 6.46 | -49.43 | 1 | 5 | -1 | 81 | 399.249 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 4.73 | 8.16 | -21.84 | 2 | 5 | 0 | 75 | 400.257 | 2 | ↓ |
