| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 25 | No |
Popular Name: (3E)-3-[2-[(2,3-dimethylphenyl)amino]-4-oxo-thiazol-5-ylidene]indolin-2-one (3E)-3-[2-[(2,3-dimethylphenyl)a…
| 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) | 4.72 | 8.55 | -51.03 | 1 | 5 | -1 | 77 | 348.407 | 2 | ↓ |
| Ref Reference (pH 7) | 5.21 | 8.96 | -13.1 | 2 | 5 | 0 | 78 | 349.415 | 1 | ↓ |
| Ref Reference (pH 7) | 5.21 | 8.65 | -13.18 | 2 | 5 | 0 | 78 | 349.415 | 1 | ↓ |
| Hi High (pH 8-9.5) | 6.12 | 5.11 | -126.41 | 0 | 5 | -2 | 84 | 347.399 | 1 | ↓ |
| Hi High (pH 8-9.5) | 6.12 | 5.61 | -125.17 | 0 | 5 | -2 | 84 | 347.399 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.67 | 7.37 | -55.81 | 1 | 5 | -1 | 81 | 348.407 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.67 | 7.15 | -51.95 | 1 | 5 | -1 | 81 | 348.407 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.67 | 6.86 | -52.35 | 1 | 5 | -1 | 81 | 348.407 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.67 | 6.87 | -57.02 | 1 | 5 | -1 | 81 | 348.407 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.18 | 6.77 | -118.62 | 0 | 5 | -2 | 80 | 347.399 | 2 | ↓ |
