| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 20 | No |
Popular Name: (4S)-4-(3-hydroxy-4-methoxy-phenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(3-hydroxy-4-methoxy-phen…
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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) | 1.01 | -0.23 | -11.81 | 3 | 6 | 0 | 91 | 291.332 | 2 | ↓ |
| Ref Reference (pH 7) | 0.83 | 2.22 | -11.95 | 3 | 6 | 0 | 87 | 291.332 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | -0.3 | -53.96 | 1 | 6 | -1 | 90 | 290.324 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 2.21 | -9.88 | 3 | 6 | 0 | 87 | 291.332 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | -0.22 | -9.12 | 3 | 6 | 0 | 91 | 291.332 | 2 | ↓ |
