| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 24 | No |
Popular Name: [(1R,2R,3R,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexyl] [(1R,2R,3R,4R,5R,6S)-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 | -9.05 | -468.56 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -7.91 | -640.34 | 3 | 15 | -6 | 278 | 414.045 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -9.05 | -454.27 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -9.02 | -499.7 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -4.71 | -11.31 | -193.46 | 6 | 15 | -3 | 269 | 417.069 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-4-O | Rattus Norvegicus (cluster #4 Of 12), Other | Other | 119 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 119 | 0.40 | Functional ≤ 10μM |
