| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 22 | Yes |
Popular Name: [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol [4-[4-[2-(hydroxymethyl)pyrimidi…
| 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) | -1.09 | -1.93 | -15.29 | 2 | 8 | 0 | 99 | 302.338 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHSO-1-E | Sorbitol Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 260 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHSO_HUMAN | Q00796 | Sorbitol Dehydrogenase, Human | 260 | 0.42 | Binding ≤ 1μM |
| DHSO_HUMAN | Q00796 | Sorbitol Dehydrogenase, Human | 1100 | 0.38 | Binding ≤ 10μM |
