| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 19 | No |
Popular Name: (4S)-3-methyl-4-(m-tolyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one (4S)-3-methyl-4-(m-tolyl)-4,8-di…
None
| 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) | 2.13 | 5.95 | -7 | 2 | 4 | 0 | 58 | 273.361 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 3.49 | -6.97 | 2 | 4 | 0 | 61 | 273.361 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 5.92 | -8.35 | 2 | 4 | 0 | 58 | 273.361 | 1 | ↓ |
![4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one](http://zinc12.docking.org/img/rings/76480.gif)
![4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one](http://zinc12.docking.org/img/rings/81524.gif)
