| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 17 | No |
Popular Name: (4S)-4-(3-pyridyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(3-pyridyl)-4,8-dihydro-2…
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| 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) | 0.44 | 0.81 | -11.05 | 2 | 5 | 0 | 74 | 246.295 | 1 | ↓ |
| Ref Reference (pH 7) | 0.25 | 3.27 | -10.89 | 2 | 5 | 0 | 71 | 246.295 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.33 | 0.8 | -52.06 | 0 | 5 | -1 | 73 | 245.287 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 3.25 | -9.38 | 2 | 5 | 0 | 71 | 246.295 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 0.82 | -8.92 | 2 | 5 | 0 | 74 | 246.295 | 1 | ↓ |
