| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 20 | Yes |
Popular Name: (9R)-13,15-dihydroxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-11-one (9R)-13,15-dihydroxy-9-methyl-10…
| 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) | 4.35 | 5.45 | -7.82 | 2 | 4 | 0 | 67 | 278.348 | 0 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 6.45 | -52.55 | 1 | 4 | -1 | 70 | 277.34 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCR-2-E | Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8930 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MCR_RAT | P22199 | Mineralocorticoid Receptor, Rat | 8930 | 0.35 | Binding ≤ 10μM |
