| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2006 | 28 | No |
| 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) | 3.88 | 4.3 | -14.74 | 0 | 4 | 0 | 60 | 384.516 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1-1-E | Steroid 5-alpha-reductase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 160 | 0.34 | Binding ≤ 10μM |
| S5A2-1-E | Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 160 | 0.34 | Binding ≤ 10μM |
| ANDR-2-E | Androgen Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 12 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 160 | 0.34 | Binding ≤ 1μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 160 | 0.34 | Binding ≤ 1μM |
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 160 | 0.34 | Binding ≤ 10μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 160 | 0.34 | Binding ≤ 10μM |
| ANDR_RAT | P15207 | Androgen Receptor, Rat | 12 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
