| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | Yes |
| 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) | 3.47 | 0.15 | -11.62 | 1 | 3 | 0 | 50 | 284.336 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB3-2-E | Estradiol 17-beta-dehydrogenase 3 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 93 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB3_HUMAN | P37058 | Estradiol 17-beta-dehydrogenase 3, Human | 93 | 0.49 | Binding ≤ 1μM |
| DHB3_HUMAN | P37058 | Estradiol 17-beta-dehydrogenase 3, Human | 93 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Synthesis of very long-chain fatty acyl-CoAs |
