| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 28th, 2008 | 25 | No |
Popular Name: (3E)-5-bromo-3-[4-(4-pyridylmethyl)phenyl]imino-indolin-2-one (3E)-5-bromo-3-[4-(4-pyridylmeth…
| 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) | 4.70 | 8.15 | -13.21 | 1 | 4 | 0 | 58 | 392.256 | 3 | ↓ |
| Ref Reference (pH 7) | 4.70 | 8.43 | -11.32 | 1 | 4 | 0 | 58 | 392.256 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 6.15 | -48.64 | 0 | 4 | -1 | 61 | 391.248 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.15 | 6.67 | -43.63 | 0 | 4 | -1 | 61 | 391.248 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.70 | 8.43 | -41.99 | 2 | 4 | 1 | 59 | 393.264 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.96 | 9.25 | -74.78 | 3 | 4 | 2 | 57 | 394.272 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.70 | 8.89 | -39.28 | 2 | 4 | 1 | 59 | 393.264 | 3 | ↓ |
