| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 27 | Yes |
Popular Name: 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-8-(trifluoromethyl)quinoline 4-(2-tert-butyl-5,7-dihydropyrro…
| 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) | 4.26 | 10.97 | -34.93 | 1 | 4 | 1 | 43 | 373.402 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.26 | 10.57 | -9.21 | 0 | 4 | 0 | 42 | 372.394 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/398161.gif)
![4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)quinoline](http://zinc12.docking.org/img/rings/586367.gif)