| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 22 | No |
Popular Name: (4S)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(4-hydroxy-3,5-dimethoxy-…
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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) | 1.03 | -0.36 | -12.62 | 3 | 7 | 0 | 100 | 321.358 | 3 | ↓ |
| Ref Reference (pH 7) | 0.84 | 2.12 | -12.65 | 3 | 7 | 0 | 96 | 321.358 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.92 | -0.41 | -49.08 | 1 | 7 | -1 | 99 | 320.35 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 2.1 | -11.57 | 3 | 7 | 0 | 96 | 321.358 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | -0.34 | -10.93 | 3 | 7 | 0 | 100 | 321.358 | 3 | ↓ |
