| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 20 | Yes |
Popular Name: (2S)-6-hydroxy-2-[(4-hydroxyphenyl)methyl]tetralin-1-one (2S)-6-hydroxy-2-[(4-hydroxyphen…
| 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) | 3.16 | 4.72 | -10.54 | 2 | 3 | 0 | 58 | 268.312 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP24A-1-E | Cytochrome P450 24A1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8900 | 0.35 | Binding ≤ 10μM |
| Z102178-2-O | Liver Microsomes (cluster #2 Of 2), Other | Other | 1500 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP24A_RAT | Q09128 | Cytochrome P450 24A1, Rat | 8900 | 0.35 | Binding ≤ 10μM |
| Z102178 | Z102178 | Liver Microsomes | 1500 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Vitamin D (calciferol) metabolism | |
| Vitamins |
