| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 27 | No |
| 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) | 1.81 | 7.48 | -12.21 | 0 | 6 | 0 | 61 | 389.521 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 9.77 | -52.2 | 1 | 6 | 1 | 62 | 390.529 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 9.77 | -50.09 | 1 | 6 | 1 | 62 | 390.529 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 9.69 | -48.17 | 1 | 6 | 1 | 62 | 390.529 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 9.7 | -48.97 | 1 | 6 | 1 | 62 | 390.529 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[3-keto-3-[4-(2-thenyl)piperazino]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone](http://zinc12.docking.org/img/rings/104591.gif)