| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 22 | Yes |
Popular Name: 3-(dimethylamino)-1-(4-hexoxy-3,5-dimethyl-phenyl)propan-1-one 3-(dimethylamino)-1-(4-hexoxy-3,…
| 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) | 5.02 | 11.95 | -42.61 | 1 | 3 | 1 | 31 | 306.47 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 9.49 | -6.19 | 0 | 3 | 0 | 30 | 305.462 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THA-1-E | Thyroid Hormone Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7700 | 0.33 | Binding ≤ 10μM |
| THB-1-E | Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THA_HUMAN | P10827 | Thyroid Hormone Receptor Alpha, Human | 7700 | 0.33 | Binding ≤ 10μM |
| THB_HUMAN | P10828 | Thyroid Hormone Receptor Beta-1, Human | 5000 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
