| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 19 | Yes |
Popular Name: 3-[(3S)-6-methoxy-3-methyl-3,4-dihydronaphthalen-2-yl]pyridine 3-[(3S)-6-methoxy-3-methyl-3,4-d…
| 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) | 3.36 | 8.3 | -5.91 | 0 | 2 | 0 | 22 | 251.329 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 8.97 | -36.46 | 1 | 2 | 1 | 23 | 252.337 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B1-1-E | Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 248 | 0.49 | Binding ≤ 10μM |
| C11B2-1-E | Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 248 | 0.49 | Binding ≤ 1μM |
| C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 3.3 | 0.62 | Binding ≤ 1μM |
| C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 248 | 0.49 | Binding ≤ 10μM |
| C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 3.3 | 0.62 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Endogenous sterols | |
| Glucocorticoid biosynthesis | |
| Mineralocorticoid biosynthesis |
