| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2004 | 12 | Yes |
Popular Name: 1,5-Dichloronaphthalene 1,5-Dichloronaphthalene
Find On: PubMed — Wikipedia — Google
CAS Number: 1825-30-5
| 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) | 4.41 | 7.61 | -2.94 | 0 | 0 | 0 | 0 | 197.064 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2A5-2-E | Cytochrome P450 2A5 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.66 | ADME/T ≤ 10μM |
| CP2A6-5-E | Cytochrome P450 2A6 (cluster #5 Of 5), Eukaryotic | Eukaryotes | 2500 | 0.65 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2A5_MOUSE | P20852 | Cytochrome P450 2A5, Mouse | 2398.83292 | 0.66 | ADME/T ≤ 10μM |
| CP2A6_HUMAN | P11509 | Cytochrome P450 2A6, Human | 2500 | 0.65 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.