| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 29 | 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) | 4.42 | 11.73 | -10.48 | 0 | 4 | 0 | 41 | 402.623 | 4 | ↓ |
| 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 | 12 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1_HUMAN | P18405 | Steroid 5-alpha-reductase 1, Human | 11.8 | 0.38 | Binding ≤ 1μM |
| S5A1_HUMAN | P18405 | Steroid 5-alpha-reductase 1, Human | 11.8 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis |
