| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 20 | No |
Popular Name: trans,trans-1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one trans,trans-1,5-Bis(4-fluorophen…
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CAS Number: 53369-00-9
| 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) | 4.51 | 10.79 | -8.09 | 0 | 1 | 0 | 17 | 270.278 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB3-1-E | Estradiol 17-beta-dehydrogenase 3 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3300 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB3_RAT | O54939 | Testosterone 17-beta-dehydrogenase 3, Rat | 100 | 0.49 | Binding ≤ 1μM |
| DHB3_RAT | O54939 | Testosterone 17-beta-dehydrogenase 3, Rat | 100 | 0.49 | Binding ≤ 10μM |
