| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2005 | 23 | No |
Popular Name: 3-KETO-4-ETIOCHOLENIC ACID 3-KETO-4-ETIOCHOLENIC ACID
| 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) | 3.51 | 1.66 | -59.52 | 0 | 3 | -1 | 57 | 315.433 | 1 | ↓ |
| 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 | 660 | 0.38 | Binding ≤ 10μM |
| S5A2-1-E | Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 660 | 0.38 | Binding ≤ 10μM |
| ANDR-2-E | Androgen Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 8900 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 660 | 0.38 | Binding ≤ 1μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 660 | 0.38 | Binding ≤ 1μM |
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 660 | 0.38 | Binding ≤ 10μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 660 | 0.38 | Binding ≤ 10μM |
| ANDR_RAT | P15207 | Androgen Receptor, Rat | 8900 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
