| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 24 | No |
Popular Name: (4S)-4-(2-isobutoxy-3-methoxy-phenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(2-isobutoxy-3-methoxy-ph…
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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) | 2.62 | 4.22 | -9.74 | 2 | 6 | 0 | 80 | 347.44 | 5 | ↓ |
| Ref Reference (pH 7) | 2.43 | 6.68 | -8.56 | 2 | 6 | 0 | 76 | 347.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 4.56 | -46.47 | 0 | 6 | -1 | 79 | 346.432 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 6.65 | -8.21 | 2 | 6 | 0 | 76 | 347.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 4.23 | -8.66 | 2 | 6 | 0 | 80 | 347.44 | 5 | ↓ |
