| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 24 | No |
Popular Name: 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-hydroxy-phenyl)azo-phenol 2,3,5,6-tetrafluoro-4-(2,3,5,6-t…
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) | 4.42 | 1.91 | -7.79 | 2 | 4 | 0 | 65 | 358.144 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1-2-E | Steroid 5-alpha-reductase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 790 | 0.36 | Binding ≤ 10μM |
| S5A2-2-E | Steroid 5-alpha-reductase 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 790 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 790 | 0.36 | Binding ≤ 1μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 790 | 0.36 | Binding ≤ 1μM |
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 4000 | 0.31 | Binding ≤ 10μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 4000 | 0.31 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
