| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | Yes |
Popular Name: 2-ETHYLNAPHTHALENE 2-ETHYLNAPHTHALENE
Find On: PubMed — Wikipedia — Google
CAS Number: 939-27-5
| 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) | 4.04 | 8.19 | -3.34 | 0 | 0 | 0 | 0 | 156.228 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2A5-1-E | Cytochrome P450 2A5 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4800 | 0.62 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2A5_MOUSE | P20852 | Cytochrome P450 2A5, Mouse | 4797.33449 | 0.62 | ADME/T ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.