| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 27 | Yes |
Popular Name: [(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidyl]-[3-(trifluoromethyl)phenyl]methanone [(3R)-1-(7H-pyrrolo[2,3-d]pyrimi…
| 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) | 3.57 | 11.24 | -12.66 | 1 | 5 | 0 | 62 | 374.366 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.57 | 11.71 | -38.41 | 2 | 5 | 1 | 63 | 375.374 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![7H-pyrrolo[2,3-d]pyrimidine](http://zinc12.docking.org/img/rings/7073.gif)
![Phenyl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidyl]methanone](http://zinc12.docking.org/img/rings/25741.gif)