| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 18 | No |
Popular Name: (4S)-4-(3-hydroxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(3-hydroxyphenyl)-4,8-dih…
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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) | 1.17 | -0.23 | -10.03 | 3 | 5 | 0 | 82 | 261.306 | 1 | ↓ |
| Ref Reference (pH 7) | 0.98 | 2.24 | -9.72 | 3 | 5 | 0 | 78 | 261.306 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | -0.28 | -48.74 | 1 | 5 | -1 | 80 | 260.298 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 2.23 | -8.15 | 3 | 5 | 0 | 78 | 261.306 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | -0.21 | -7.84 | 3 | 5 | 0 | 82 | 261.306 | 1 | ↓ |
