| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 30 | No |
Popular Name: [(1S,2R,3S,4S,5R)-3-hydroxy-2-(3-morpholinopropylamino)-6,8-dioxabicyclo[3.2.1]octan-4-yl] [(1S,2R,3S,4S,5R)-3-hydroxy-2-(3…
| 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) | 0.57 | 0.67 | -55.85 | 3 | 9 | 1 | 111 | 443.542 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 1.4 | -42.76 | 2 | 9 | 0 | 114 | 442.534 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 1.82 | -45.55 | 3 | 9 | 1 | 108 | 443.542 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | -0.44 | -10.67 | 2 | 9 | 0 | 107 | 442.534 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 2.95 | -125.45 | 4 | 9 | 2 | 112 | 444.55 | 8 | ↓ |
