| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 31 | Yes |
| 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) | 1.53 | 5.26 | -92.2 | 4 | 10 | 0 | 133 | 427.461 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 4.79 | -76.09 | 3 | 10 | -1 | 132 | 426.453 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 4.77 | -74.54 | 3 | 10 | -1 | 132 | 426.453 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 4.77 | -98.72 | 6 | 10 | 2 | 131 | 429.477 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 5.55 | -101.58 | 5 | 10 | 1 | 134 | 428.469 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 2.85 | -51.55 | 5 | 10 | 1 | 130 | 428.469 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 2.82 | -51.62 | 5 | 10 | 1 | 130 | 428.469 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 5.51 | -101.49 | 5 | 10 | 1 | 134 | 428.469 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.53 | 4.75 | -98.69 | 6 | 10 | 2 | 131 | 429.477 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6-dihydro-[1,3]dioxolo[4,5-g]quinoline](http://zinc12.docking.org/img/rings/97994.gif)
![N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-keto-propyl]-5,6-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide](http://zinc12.docking.org/img/rings/98025.gif)