| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 18 | No |
Popular Name: (4S)-4-(3-chlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-4-(3-chlorophenyl)-4,8-dihy…
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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) | 2.33 | 3.15 | -10.12 | 2 | 4 | 0 | 61 | 279.752 | 1 | ↓ |
| Ref Reference (pH 7) | 2.14 | 5.62 | -10 | 2 | 4 | 0 | 58 | 279.752 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 3.1 | -43.01 | 0 | 4 | -1 | 60 | 278.744 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 5.6 | -8.14 | 2 | 4 | 0 | 58 | 279.752 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 3.16 | -7.62 | 2 | 4 | 0 | 61 | 279.752 | 1 | ↓ |
