| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 25 | No |
Popular Name: (4S)-4-(3-benzyloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(3-benzyloxyphenyl)-4,8-d…
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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) | 3.30 | 5.92 | -10.67 | 2 | 5 | 0 | 71 | 351.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 5.86 | -46.6 | 0 | 5 | -1 | 69 | 350.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 8.37 | -8.63 | 2 | 5 | 0 | 67 | 351.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 5.93 | -8.19 | 2 | 5 | 0 | 71 | 351.431 | 4 | ↓ |
