| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 25 | No |
Popular Name: (5E)-2-(4-bromoanilino)-5-(5-fluoro-2-oxo-indolin-3-ylidene)thiazol-4-one (5E)-2-(4-bromoanilino)-5-(5-flu…
| 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) | 4.38 | 7.91 | -11.23 | 2 | 5 | 0 | 78 | 418.247 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.30 | 5.05 | -109.86 | 0 | 5 | -2 | 84 | 416.231 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.30 | 4.37 | -111.32 | 0 | 5 | -2 | 84 | 416.231 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 6.12 | -43.82 | 1 | 5 | -1 | 81 | 417.239 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 6.81 | -47.89 | 1 | 5 | -1 | 81 | 417.239 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 6.12 | -49.17 | 1 | 5 | -1 | 81 | 417.239 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.84 | 6.53 | -43.38 | 1 | 5 | -1 | 81 | 417.239 | 1 | ↓ |
