| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2005 | 21 | Yes |
Popular Name: N-(3-imidazol-1-ylpropyl)-2,4,5-trimethyl-benzenesulfonamide N-(3-imidazol-1-ylpropyl)-2,4,5-…
| 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) | 2.16 | 6.88 | -14.98 | 1 | 5 | 0 | 64 | 307.419 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 7.4 | -42.47 | 2 | 5 | 1 | 65 | 308.427 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A-3-E | Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 172 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 172 | 0.45 | Binding ≤ 1μM |
| CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 172 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Endogenous sterols | |
| Estrogen biosynthesis |
