| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 25 | No |
Popular Name: N-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]oxamide N-[4-(4-hydroxy-3-isopropyl-phen…
| 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) | 3.31 | 2.97 | -8.8 | 4 | 6 | 0 | 102 | 342.395 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THB_RAT | P18113 | Thyroid Hormone Receptor Beta-1, Rat | 0.95 | 0.51 | Binding ≤ 1μM |
| THB_RAT | P18113 | Thyroid Hormone Receptor Beta-1, Rat | 0.95 | 0.51 | Binding ≤ 10μM |
