In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2008 | 20 | Yes |
Popular Name: DNC005629 DNC005629
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) | 4.29 | 10.54 | -8 | 0 | 1 | 0 | 13 | 255.32 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.29 | 10.83 | -38.27 | 1 | 1 | 1 | 14 | 256.328 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
C11B2-1-E | Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.58 | Binding ≤ 10μM |
CP19A-1-E | Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4810 | 0.37 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 6 | 0.58 | Binding ≤ 1μM |
C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 6 | 0.58 | Binding ≤ 10μM |
CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 4810 | 0.37 | Binding ≤ 10μM |
Description | Species |
---|---|
Endogenous sterols | |
Estrogen biosynthesis | |
Glucocorticoid biosynthesis | |
Mineralocorticoid biosynthesis |
No pre-computed analogs available. Try a structural similarity search.