| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 17 | Yes |
Popular Name: (2R,3R)-2-[(1R,2R)-1,2-dihydroxyhexyl]-3-methyl-butanedioic (2R,3R)-2-[(1R,2R)-1,2-dihydroxy…
| 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 | 2.87 | -125.8 | 2 | 6 | -2 | 121 | 246.259 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 0.89 | -50.61 | 3 | 6 | -1 | 118 | 247.267 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 1.76 | -42.88 | 3 | 6 | -1 | 118 | 247.267 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4070480; US4145437 | IBM Patent Data |
