In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 19 | Yes |
Popular Name: [(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-methoxy-3-pyridyl)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) | 0.35 | 4.02 | -43.77 | 1 | 5 | 1 | 47 | 262.333 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.35 | 1.69 | -7.09 | 0 | 5 | 0 | 46 | 261.325 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.