| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 25 | No |
Popular Name: (4R)-1-tert-butyl-4-(2-chloro-5-nitro-phenyl)-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (4R)-1-tert-butyl-4-(2-chloro-5-…
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) | 3.49 | 7.83 | -9.16 | 1 | 7 | 0 | 96 | 380.857 | 3 | ↓ |
| Ref Reference (pH 7) | 3.31 | 9.78 | -9.42 | 1 | 7 | 0 | 93 | 380.857 | 3 | ↓ |
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-phenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine](http://zinc12.docking.org/img/rings/2075.gif)