| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 28 | Yes |
Popular Name: 5-[(1-{3-nitrophenyl}-1H-pyrrol-2-yl)methylene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one 5-[(1-{3-nitrophenyl}-1H-pyrrol-…
| 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) | 0.93 | 4.3 | -48.93 | 3 | 8 | 1 | 92 | 386.476 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 1.84 | -16.09 | 2 | 8 | 0 | 91 | 385.468 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine](http://zinc12.docking.org/img/rings/368088.gif)
![Phenyl(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone](http://zinc12.docking.org/img/rings/398181.gif)