In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2011 | 20 | Yes |
Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(ethylamino)phenyl]methanone [(8aS)-3,4,6,7,8,8a-hexahydro-1H…
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) | 1.37 | 7.1 | -38.79 | 2 | 4 | 1 | 37 | 274.388 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.37 | 4.87 | -6.88 | 1 | 4 | 0 | 36 | 273.38 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.