| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 23 | No |
Popular Name: (4S)-4-(4-methoxy-3-prop-2-ynoxy-phenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(4-methoxy-3-prop-2-ynoxy…
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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) | 1.48 | 3.3 | -13.57 | 2 | 6 | 0 | 80 | 329.381 | 4 | ↓ |
| Ref Reference (pH 7) | 1.29 | 5.76 | -13.66 | 2 | 6 | 0 | 76 | 329.381 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 3.24 | -49.97 | 0 | 6 | -1 | 79 | 328.373 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 5.74 | -11.94 | 2 | 6 | 0 | 76 | 329.381 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 3.31 | -11.16 | 2 | 6 | 0 | 80 | 329.381 | 4 | ↓ |
