| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2008 | 31 | No |
None
| 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) | 2.67 | 6.86 | -18.57 | 1 | 8 | 0 | 88 | 496.354 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 8.56 | -53.15 | 0 | 8 | -1 | 91 | 495.346 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 5.52 | -51.15 | 0 | 8 | -1 | 91 | 495.346 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 5.16 | -52.27 | 2 | 8 | 1 | 90 | 497.362 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 8.01 | -50.21 | 2 | 8 | 1 | 90 | 497.362 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 5.16 | -52.27 | 2 | 8 | 1 | 90 | 497.362 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene](http://zinc12.docking.org/img/rings/14318.gif)
![Benzal(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)amine](http://zinc12.docking.org/img/rings/74565.gif)