| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 19 | No |
Popular Name: 4-[(4S)-7-oxo-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzonitrile 4-[(4S)-7-oxo-4,8-dihydro-2H-pyr…
None
| 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) | 1.43 | 3.02 | -12.58 | 2 | 5 | 0 | 85 | 270.317 | 1 | ↓ |
| Ref Reference (pH 7) | 1.24 | 5.49 | -13.09 | 2 | 5 | 0 | 82 | 270.317 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 2.97 | -46.61 | 0 | 5 | -1 | 84 | 269.309 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 5.46 | -10.74 | 2 | 5 | 0 | 82 | 270.317 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 3.04 | -9.63 | 2 | 5 | 0 | 85 | 270.317 | 1 | ↓ |
