| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 22 | Yes |
| 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) | 3.31 | 7.25 | -15.14 | 2 | 4 | 0 | 54 | 291.354 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 7.69 | -49.36 | 3 | 4 | 1 | 55 | 292.362 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-2-E | Vanilloid Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1440 | 0.37 | Binding ≤ 10μM |
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1000 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 1440 | 0.37 | Binding ≤ 10μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 1000 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
