| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 12 | No |
Popular Name: 3-hydrazono-7,7-dioxo-4,7$l^{6}-dithia-2-azabicyclo[3.3.0]octane 3-hydrazono-7,7-dioxo-4,7$l^{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) | -0.98 | -2 | -42.95 | 4 | 5 | 1 | 86 | 208.288 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.98 | -2.13 | -13.85 | 3 | 5 | 0 | 85 | 207.28 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.98 | -1.88 | -43.05 | 4 | 5 | 1 | 86 | 208.288 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.98 | -2.01 | -14.28 | 3 | 5 | 0 | 85 | 207.28 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![(5,5-diketo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-d]thiazol-2-ylidene)amine](http://zinc12.docking.org/img/rings/1921.gif)