| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2006 | 20 | Yes |
Popular Name: 1,4'-DICHLOROBENZYL-1,2,4-TRIAZOLE 1,4'-DICHLOROBENZYL-1,2,4-TRIAZOLE
Find On: PubMed — Wikipedia — Google
CAS Number: 102994-04-7
| 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) | 3.99 | 1.45 | -5.78 | 0 | 3 | 0 | 30 | 304.18 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A-3-E | Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 9 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 8.8 | 0.56 | Binding ≤ 1μM |
| CP19A_RAT | P22443 | Cytochrome P450 19A1, Rat | 8.8 | 0.56 | Binding ≤ 10μM |
