In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 24 | No |
Popular Name: [(1S,2R,3R,4R,5S,6R)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl] [(1S,2R,3R,4R,5S,6R)-2,3,6-trihy…
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) | -4.71 | -8.34 | -461.94 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
Ref Reference (pH 7) | -4.71 | -8.33 | -480.46 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
Mid Mid (pH 6-8) | -4.71 | -8.37 | -480.25 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
Mid Mid (pH 6-8) | -4.71 | -8.34 | -447.37 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
Mid Mid (pH 6-8) | -4.71 | -7.19 | -625.77 | 3 | 15 | -6 | 278 | 414.045 | 6 | ↓ |
Mid Mid (pH 6-8) | -4.71 | -8.33 | -462.98 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
Lo Low (pH 4.5-6) | -4.71 | -10.66 | -188.78 | 6 | 15 | -3 | 269 | 417.069 | 6 | ↓ |
Lo Low (pH 4.5-6) | -4.71 | -10.62 | -189.31 | 6 | 15 | -3 | 269 | 417.069 | 6 | ↓ |