In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 32 | No |
Popular Name: trihydroxy-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-BLAHdione trihydroxy-[(2S,3R,4R,5R,6S)-3,4…
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) | -0.06 | -4.58 | -18.9 | 6 | 12 | 0 | 200 | 448.336 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.06 | -3.56 | -50.11 | 5 | 12 | -1 | 203 | 447.328 | 2 | ↓ |