| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 17th, 2011 | 27 | Yes |
Popular Name: (8aS)-7-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-3-yl]-1,2,3,5,8,8a-hexahydroindolizine (8aS)-7-[5-(4-fluorophenyl)-4-(4…
None
| 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) | 3.83 | 12.61 | -37.05 | 2 | 3 | 1 | 33 | 360.456 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 10.24 | -7.15 | 1 | 3 | 0 | 32 | 359.448 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.83 | 13.08 | -89.17 | 3 | 3 | 2 | 34 | 361.464 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![7-[5-phenyl-4-(4-pyridyl)-1H-pyrrol-3-yl]-1,2,3,5,8,8a-hexahydroindolizine](http://zinc12.docking.org/img/rings/189027.gif)