| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 23 | Yes |
3666-69-1; D03851; Dioxadrol hydrochloride (USAN)
Dioxadrol (INN); Dioxadrol HCl (USAN)
Dioxadrol (INN); Dioxadrol Hydrochloride (USAN)
| 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) | 4.04 | 9.95 | -37.44 | 2 | 3 | 1 | 35 | 310.417 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.04 | 8.99 | -3.84 | 1 | 3 | 0 | 30 | 309.409 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SGMR1-3-E | Sigma Opioid Receptor (cluster #3 Of 6), Eukaryotic | Eukaryotes | 35 | 0.45 | Binding ≤ 10μM |
| Z104302-2-O | Glutamate NMDA Receptor (cluster #2 Of 7), Other | Other | 104 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 104 | 0.43 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 35 | 0.45 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 104 | 0.43 | Binding ≤ 10μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 35 | 0.45 | Binding ≤ 10μM |
