| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 33 | No |
Popular Name: (2E,6E)-2,6-bis[(3,4,5-trimethoxyphenyl)methylene]cyclohexanone (2E,6E)-2,6-bis[(3,4,5-trimethox…
| 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) | 4.23 | 10.26 | -15.51 | 0 | 7 | 0 | 72 | 454.519 | 8 | ↓ |
| 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 | 100 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB3_HUMAN | P37058 | Estradiol 17-beta-dehydrogenase 3, Human | 100 | 0.30 | Binding ≤ 1μM |
| DHB3_HUMAN | P37058 | Estradiol 17-beta-dehydrogenase 3, Human | 100 | 0.30 | Binding ≤ 10μM |
| DHB3_RAT | O54939 | Testosterone 17-beta-dehydrogenase 3, Rat | 1800 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Synthesis of very long-chain fatty acyl-CoAs |
