| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | No |
| 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) | 5.05 | 2.77 | -9.05 | 0 | 3 | 0 | 35 | 322.404 | 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 | 70 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB3_RAT | O54939 | Testosterone 17-beta-dehydrogenase 3, Rat | 70 | 0.42 | Binding ≤ 1μM |
| DHB3_RAT | O54939 | Testosterone 17-beta-dehydrogenase 3, Rat | 70 | 0.42 | Binding ≤ 10μM |
