| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 19 | Yes |
Popular Name: 6-[(1S)-1-(3-methyl-2-pyridyl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one 6-[(1S)-1-(3-methyl-2-pyridyl)et…
| 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) | 1.75 | 6.5 | -14.24 | 0 | 4 | 0 | 46 | 253.305 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 6.55 | -31.84 | 1 | 4 | 1 | 47 | 254.313 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7-dihydropyrrolo[3,4-b]pyridin-5-one](http://zinc12.docking.org/img/rings/25677.gif)
![6-(2-pyridylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one](http://zinc12.docking.org/img/rings/407223.gif)