| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 36 | 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) | 5.81 | 13.69 | -43.19 | 5 | 8 | 1 | 110 | 500.652 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.81 | 13.48 | -16.26 | 4 | 8 | 0 | 109 | 499.644 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.81 | 13.59 | -44.72 | 5 | 8 | 1 | 110 | 500.652 | 5 | ↓ |
![3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-[[6-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]phenyl]methanone](http://zinc12.docking.org/img/rings/604859.gif)
