| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 21 | Yes |
Popular Name: (2R)-2-[(4-hydroxyphenyl)methyl]-6-methoxy-tetralin-1-one (2R)-2-[(4-hydroxyphenyl)methyl]…
| 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) | 3.70 | 6.85 | -9.83 | 1 | 3 | 0 | 47 | 282.339 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP24A-1-E | Cytochrome P450 24A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3500 | 0.36 | Binding ≤ 10μM |
| Z102178-2-O | Liver Microsomes (cluster #2 Of 2), Other | Other | 400 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP24A_RAT | Q09128 | Cytochrome P450 24A1, Rat | 3500 | 0.36 | Binding ≤ 10μM |
| Z102178 | Z102178 | Liver Microsomes | 400 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Vitamin D (calciferol) metabolism | |
| Vitamins |
