| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 23 | No |
Popular Name: hydroxy-methyl-BLAHone hydroxy-methyl-BLAHone
None
| 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) | 2.96 | 5.63 | -12.8 | 2 | 4 | 0 | 66 | 308.381 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 5.73 | -43.6 | 3 | 4 | 1 | 67 | 309.389 | 0 | ↓ |
| 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 | 460 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHB1_HUMAN | P14061 | Estradiol 17-beta-dehydrogenase 1, Human | 460 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Estrogen biosynthesis | |
| The canonical retinoid cycle in rods (twilight vision) |
