| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 21 | Yes |
Popular Name: N-allyl-N-(4-pyridylmethyl)-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxamide N-allyl-N-(4-pyridylmethyl)-2,3,…
| 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) | 0.15 | 2.24 | -46.15 | 3 | 5 | 1 | 62 | 287.387 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.15 | 2.7 | -96.01 | 4 | 5 | 2 | 63 | 288.395 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.15 | 3.68 | -117.53 | 4 | 5 | 2 | 66 | 288.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole](http://zinc12.docking.org/img/rings/186766.gif)
![N-(4-pyridylmethyl)-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxamide](http://zinc12.docking.org/img/rings/420347.gif)