| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 29 | Yes |
Popular Name: N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide N-[4-(trifluoromethyl)phenyl]-4-…
| 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) | 4.12 | 8.97 | -13.2 | 1 | 5 | 0 | 48 | 418.341 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-2-E | Vanilloid Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 57 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 3 | 0.41 | Binding ≤ 1μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 4 | 0.41 | Binding ≤ 1μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 4 | 0.41 | Binding ≤ 10μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 3 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
