In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: 4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-2,2-diethyl-4-oxo-butanoic 4-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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) | 1.81 | 8.61 | -71.71 | 2 | 5 | 0 | 74 | 296.411 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.81 | 6.64 | -45.37 | 3 | 5 | 1 | 71 | 297.419 | 6 | ↓ |