| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 27 | No |
Popular Name: (3aS,7aR)-2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,7aR)-2-[2-(4-benzylpiperazi…
| 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) | 1.15 | 7.78 | -13.1 | 0 | 6 | 0 | 61 | 367.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 9.98 | -50.08 | 1 | 6 | 1 | 62 | 368.457 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 9.98 | -50.05 | 1 | 6 | 1 | 62 | 368.457 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 10.01 | -50.25 | 1 | 6 | 1 | 62 | 368.457 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[2-(4-benzylpiperazino)-2-keto-ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone](http://zinc12.docking.org/img/rings/94486.gif)