| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 33 | 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) | 3.54 | 12.24 | -16.05 | 3 | 8 | 0 | 97 | 444.539 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 12.58 | -29.99 | 4 | 8 | 1 | 98 | 445.547 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | 12.22 | -30.24 | 4 | 8 | 1 | 98 | 445.547 | 5 | ↓ |
![[1-(6-anilinopyrimidin-4-yl)pyrrolidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone](http://zinc12.docking.org/img/rings/604759.gif)
