| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 24 | Yes |
Popular Name: 7-hydroxy-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]chromen-2-one 7-hydroxy-4-[[5-(trifluoromethyl…
| 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) | 3.63 | 7.28 | -12.99 | 1 | 4 | 0 | 63 | 353.321 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 8.07 | -42.08 | 0 | 4 | -1 | 66 | 352.313 | 4 | ↓ |
| 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 | 230 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB3_HUMAN | P37058 | Estradiol 17-beta-dehydrogenase 3, Human | 230 | 0.39 | Binding ≤ 1μM |
| DHB3_HUMAN | P37058 | Estradiol 17-beta-dehydrogenase 3, Human | 230 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Synthesis of very long-chain fatty acyl-CoAs |
