| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 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) | 2.69 | 8.33 | -10.33 | 0 | 5 | 0 | 54 | 381.501 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 10.63 | -43.12 | 1 | 5 | 1 | 55 | 382.509 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 10.63 | -42.8 | 1 | 5 | 1 | 55 | 382.509 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 10.65 | -42.74 | 1 | 5 | 1 | 55 | 382.509 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[[4-(1,3-benzothiazol-2-yl)piperidino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone](http://zinc12.docking.org/img/rings/231980.gif)