| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 16 | Yes |
Popular Name: 1-[(1R,2S,5R)-2,5-dihydroxycyclohexyl]pyrimidine-2,4-dione 1-[(1R,2S,5R)-2,5-dihydroxycyclo…
| 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) | -1.56 | -2.47 | -11.2 | 3 | 6 | 0 | 95 | 226.232 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80394-1-O | PEU (cluster #1 Of 1), Other | Other | 970 | 0.53 | Functional ≤ 10μM |
| Z80583-6-O | Vero (Kidney Cells) (cluster #6 Of 7), Other | Other | 970 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80394 | Z80394 | PEU | 970 | 0.53 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 10000 | 0.44 | Functional ≤ 10μM |
