| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 28 | Yes |
Popular Name: 3-amino-2-{4-nitrophenyl}-1,2,6,7,8,8a-hexahydro-1,2,4-naphthalenetricarbonitrile 3-amino-2-{4-nitrophenyl}-1,2,6,…
| 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) | 1.12 | 7.9 | -56.63 | 1 | 8 | 1 | 81 | 381.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.12 | 5.81 | -16.6 | 0 | 8 | 0 | 80 | 380.452 | 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)
![5-benzyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide](http://zinc12.docking.org/img/rings/421216.gif)