| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 21 | Yes |
Popular Name: DNC009995 DNC009995
| 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) | 5.39 | 6.36 | -7.9 | 2 | 2 | 0 | 40 | 276.335 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB1-1-E | Estradiol 17-beta-dehydrogenase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 171 | 0.45 | Binding ≤ 10μM |
| DHB2-1-E | Estradiol 17-beta-dehydrogenase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1248 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB1_HUMAN | P14061 | Estradiol 17-beta-dehydrogenase 1, Human | 171 | 0.45 | Binding ≤ 1μM |
| DHB1_HUMAN | P14061 | Estradiol 17-beta-dehydrogenase 1, Human | 171 | 0.45 | Binding ≤ 10μM |
| DHB2_HUMAN | P37059 | Estradiol 17-beta-dehydrogenase 2, Human | 1248 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Estrogen biosynthesis | |
| The canonical retinoid cycle in rods (twilight vision) |
