| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 21 | Yes |
Popular Name: 1-[(1S)-1-[4-(4-fluorophenyl)phenyl]propyl]imidazole 1-[(1S)-1-[4-(4-fluorophenyl)phe…
| 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) | 4.41 | 12.59 | -36.39 | 1 | 2 | 1 | 19 | 281.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 11.79 | -8.33 | 0 | 2 | 0 | 18 | 280.346 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP17A-1-E | Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 345 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 345 | 0.43 | Binding ≤ 1μM |
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 345 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Endogenous sterols | |
| Glucocorticoid biosynthesis |
