In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2010 | 19 | No |
Popular Name: [(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]-(2-hydroxy-6-methyl-phenyl)methanone [(8aS)-1,2,3,5,6,8a-hexahydroind…
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) | 2.81 | 6.88 | -40.59 | 2 | 3 | 1 | 42 | 258.341 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 4.82 | -9.41 | 1 | 3 | 0 | 41 | 257.333 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.