| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 32 | Yes |
Popular Name: 4-[(E,3R)-3-[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]-3-hydroxy-prop-1-enyl]benzoic 4-[(E,3R)-3-[8,8-dimethyl-5-(p-t…
| 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) | 6.87 | 15.35 | -52.74 | 1 | 3 | -1 | 60 | 423.532 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA-1-E | Retinoic Acid Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.28 | Binding ≤ 10μM |
| RARB-1-E | Retinoic Acid Receptor Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2000 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| RARA_MOUSE | P11416 | Retinoic Acid Receptor Alpha, Mouse | 400 | 0.28 | Binding ≤ 1μM |
| RARA_MOUSE | P11416 | Retinoic Acid Receptor Alpha, Mouse | 400 | 0.28 | Binding ≤ 10μM |
| RARB_MOUSE | P22605 | Retinoic Acid Receptor Beta, Mouse | 2000 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
