| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 25 | No |
| 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) | 3.93 | 7.74 | -18.05 | 3 | 4 | 0 | 56 | 376.909 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >99% | Fluorochem |
| UniProt Database Links | HCN1_HUMAN; TRPV1_CAVPO; TRPV1_HUMAN; TRPV1_RAT | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 74 | 0.40 | Binding ≤ 10μM |
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 69 | 0.40 | Functional ≤ 10μM |
| TRPV2-1-E | Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 650 | 0.35 | Functional ≤ 10μM |
| TRPV4-1-E | Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 650 | 0.35 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3981 | 0.30 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 600 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 120 | 0.39 | Binding ≤ 1μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 365 | 0.36 | Binding ≤ 1μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 120 | 0.39 | Binding ≤ 10μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 1200 | 0.33 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3981.07171 | 0.30 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 420 | 0.36 | Functional ≤ 10μM |
| TRPV2_RAT | Q9WUD2 | Transient Receptor Potential Cation Channel Subfamily V Member 2, Rat | 590 | 0.35 | Functional ≤ 10μM |
| TRPV4_RAT | Q9ERZ8 | Transient Receptor Potential Cation Channel Subfamily V Member 4, Rat | 590 | 0.35 | Functional ≤ 10μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 100 | 0.39 | Functional ≤ 10μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 220 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
No pre-computed analogs available. Try a structural similarity search.