| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | Yes |
Popular Name: 2-Fluoronaphthalene 2-Fluoronaphthalene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 323-09-1 , [323-09-1]
| 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) | 2.31 | 6.84 | -3.85 | 0 | 0 | 0 | 0 | 146.164 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2A5-2-E | Cytochrome P450 2A5 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7300 | 0.65 | ADME/T ≤ 10μM |
| CP2A6-5-E | Cytochrome P450 2A6 (cluster #5 Of 5), Eukaryotic | Eukaryotes | 670 | 0.79 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2A5_MOUSE | P20852 | Cytochrome P450 2A5, Mouse | 7294.5751 | 0.65 | ADME/T ≤ 10μM |
| CP2A6_HUMAN | P11509 | Cytochrome P450 2A6, Human | 669.884609 | 0.79 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.