| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 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) | 3.61 | 9.89 | -18.83 | 4 | 8 | 0 | 105 | 438.557 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.54 | -32.47 | 5 | 8 | 1 | 107 | 439.565 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 9.53 | -31.66 | 5 | 8 | 1 | 107 | 439.565 | 8 | ↓ |
![1-(6-anilinopyrimidin-4-yl)-N-[2-(2-thienyl)ethyl]pyrrolidine-2-carboxamide](http://zinc12.docking.org/img/rings/604840.gif)
