| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 25 | No |
Popular Name: (4S)-1-tert-butyl-4-(6-quinolyl)-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-1-tert-butyl-4-(6-quinolyl)…
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) | 2.91 | 7.17 | -11.21 | 1 | 5 | 0 | 63 | 352.463 | 2 | ↓ |
| Ref Reference (pH 7) | 2.72 | 9.11 | -10.9 | 1 | 5 | 0 | 60 | 352.463 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine](http://zinc12.docking.org/img/rings/2076.gif)
![4-(6-quinolyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine](http://zinc12.docking.org/img/rings/582479.gif)