| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 20 | Yes |
Popular Name: 1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole 1-(4-Methoxybenzyl)-5-phenyl-1H-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1192811-38-3
| 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) | 3.32 | 9.68 | -7.75 | 0 | 3 | 0 | 27 | 264.328 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 10.19 | -32.1 | 1 | 3 | 1 | 28 | 265.336 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B1-1-E | Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 11 | 0.56 | Binding ≤ 10μM |
| C11B2-1-E | Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 14 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 10.964782 | 0.56 | Binding ≤ 1μM |
| C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 14 | 0.55 | Binding ≤ 1μM |
| C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 10.964782 | 0.56 | Binding ≤ 10μM |
| C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 14 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Endogenous sterols | |
| Glucocorticoid biosynthesis | |
| Mineralocorticoid biosynthesis |
No pre-computed analogs available. Try a structural similarity search.