In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2010 | 19 | Yes |
Popular Name: 2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]benzoic 2-[[(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) | 3.55 | 8.66 | -60.83 | 2 | 4 | 0 | 57 | 260.337 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 6.42 | -53.47 | 1 | 4 | -1 | 55 | 259.329 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.55 | 6.73 | -34.15 | 3 | 4 | 1 | 54 | 261.345 | 3 | ↓ |