| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2008 | 21 | No |
Popular Name: (4S)-4-(2,3-dimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(2,3-dimethoxyphenyl)-4,8…
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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) | 1.49 | 1.79 | -10.31 | 2 | 6 | 0 | 80 | 305.359 | 3 | ↓ |
| Ref Reference (pH 7) | 1.31 | 4.26 | -9.19 | 2 | 6 | 0 | 76 | 305.359 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 2.14 | -45.95 | 0 | 6 | -1 | 79 | 304.351 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 4.24 | -8.83 | 2 | 6 | 0 | 76 | 305.359 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 1.81 | -9.24 | 2 | 6 | 0 | 80 | 305.359 | 3 | ↓ |
