| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 24 | Yes |
Popular Name: 3-[4-[(4-hydroxy-3-isopropyl-phenyl)methyl]-3,5-dimethyl-phenyl]propanoic 3-[4-[(4-hydroxy-3-isopropyl-phe…
| 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) | 5.55 | 10.11 | -50.5 | 1 | 3 | -1 | 60 | 325.428 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THA-1-E | Thyroid Hormone Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
| THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 0.69 | 0.53 | Binding ≤ 1μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 0.22 | 0.56 | Binding ≤ 1μM |
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 0.69 | 0.53 | Binding ≤ 10μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 0.22 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
