| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 19 | Yes |
Popular Name: (3S,7aS)-N-methyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazole-2-sulfonamide (3S,7aS)-N-methyl-3-phenyl-1,3,5…
| 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) | 1.33 | 3.28 | -42.99 | 2 | 5 | 1 | 54 | 282.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 0.26 | -43.92 | 0 | 5 | -1 | 55 | 280.373 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 2.89 | -44.06 | 1 | 5 | 0 | 56 | 281.381 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 0.65 | -9.91 | 1 | 5 | 0 | 53 | 281.381 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,5,6,7,7a-hexahydro-1H-pyrrolo[2,1-e]imidazole](http://zinc12.docking.org/img/rings/52807.gif)
![3-phenyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[2,1-e]imidazole](http://zinc12.docking.org/img/rings/52806.gif)