| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2009 | 27 | No |
Popular Name: Dihydroproscar Dihydroproscar
Find On: PubMed — Wikipedia — Google
CAS Numbers: 98319-24-5 , 98319-24-5 , [98319-24-5]
| 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) | 4.02 | 7.53 | -11.3 | 2 | 4 | 0 | 58 | 374.569 | 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 | 6 | 0.43 | Binding ≤ 10μM |
| S5A1-2-E | Steroid 5-alpha-reductase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6 | 0.43 | Binding ≤ 10μM |
| S5A2-1-E | Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.43 | Binding ≤ 10μM |
| S5A2-1-E | Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 6.3 | 0.43 | Binding ≤ 1μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 6.3 | 0.43 | Binding ≤ 1μM |
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 6.3 | 0.43 | Binding ≤ 10μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 6.3 | 0.43 | Binding ≤ 10μM |
