In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: 2-[[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]phenol 2-[[[(1S,8aR)-1,2,3,5,6,7,8,8a-o…
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) | 2.48 | 3.63 | -40.64 | 3 | 3 | 1 | 40 | 247.362 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.33 | -31.24 | 2 | 3 | 0 | 43 | 246.354 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.48 | 5.89 | -110.69 | 4 | 3 | 2 | 41 | 248.37 | 3 | ↓ |