| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 22 | Yes |
Popular Name: (1R)-2-[2-(4-chlorophenyl)ethyl-propyl-amino]-1-(4-pyridyl)ethanol (1R)-2-[2-(4-chlorophenyl)ethyl-…
| 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) | 3.23 | 8.86 | -46.64 | 2 | 3 | 1 | 38 | 319.856 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP51A-1-E | Cytochrome P450 51 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3300 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP51A_HUMAN | Q16850 | Cytochrome P450 51, Human | 3300 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| Endogenous sterols |
