| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 20 | Yes |
Popular Name: [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol [4-(4-pyrimidin-4-ylpiperazin-1-…
| 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) | -0.53 | 1.56 | -12.44 | 1 | 7 | 0 | 78 | 272.312 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHSO-1-E | Sorbitol Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2300 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHSO_HUMAN | Q00796 | Sorbitol Dehydrogenase, Human | 2300 | 0.39 | Binding ≤ 10μM |
