| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 21 | No |
Popular Name: (4S)-4-[4-(trifluoromethyl)phenyl]-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-[4-(trifluoromethyl)pheny…
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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) | 2.57 | 3.64 | -9.84 | 2 | 4 | 0 | 61 | 313.304 | 2 | ↓ |
| Ref Reference (pH 7) | 2.38 | 6.12 | -10.12 | 2 | 4 | 0 | 58 | 313.304 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 3.58 | -45.9 | 0 | 4 | -1 | 60 | 312.296 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 6.09 | -8.16 | 2 | 4 | 0 | 58 | 313.304 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 3.66 | -7.27 | 2 | 4 | 0 | 61 | 313.304 | 2 | ↓ |
