| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2009 | 19 | No |
Popular Name: (2E,6Z,8E,10E)-N-(2-Hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide (2E,6Z,8E,10E)-N-(2-Hydroxy-2-me…
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CAS Numbers: 83883-10-7 , [83883-10-7]
| 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) | 3.07 | 5.89 | -7.35 | 2 | 3 | 0 | 49 | 263.381 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPA1-1-E | Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 6600 | 0.38 | Binding ≤ 10μM |
| TRPV1-3-E | Vanilloid Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1100 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPA1_HUMAN | O75762 | Transient Receptor Potential Cation Channel Subfamily A Member 1, Human | 6600 | 0.38 | Binding ≤ 10μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 1100 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
No pre-computed analogs available. Try a structural similarity search.