| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 18 | No |
Popular Name: (4S)-4-(4-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(4-fluorophenyl)-4,8-dihy…
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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) | 1.84 | 2.71 | -9.53 | 2 | 4 | 0 | 61 | 263.297 | 1 | ↓ |
| Ref Reference (pH 7) | 1.65 | 5.17 | -9.71 | 2 | 4 | 0 | 58 | 263.297 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 2.64 | -46.56 | 0 | 4 | -1 | 60 | 262.289 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 5.15 | -7.8 | 2 | 4 | 0 | 58 | 263.297 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 2.72 | -7.01 | 2 | 4 | 0 | 61 | 263.297 | 1 | ↓ |
