| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 21 | No |
Popular Name: (4R)-4-(4-prop-2-ynoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4R)-4-(4-prop-2-ynoxyphenyl)-4,…
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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) | 1.89 | 3.4 | -11.99 | 2 | 5 | 0 | 71 | 299.355 | 3 | ↓ |
| Ref Reference (pH 7) | 1.70 | 5.86 | -12 | 2 | 5 | 0 | 67 | 299.355 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 3.82 | -45.25 | 0 | 5 | -1 | 69 | 298.347 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 5.85 | -10.17 | 2 | 5 | 0 | 67 | 299.355 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 3.42 | -9.57 | 2 | 5 | 0 | 71 | 299.355 | 3 | ↓ |
