| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 26 | Yes |
Popular Name: N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridyl)benzamide N-(4-tert-butylphenyl)-4-(3-meth…
| 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) | 5.59 | 11.09 | -14.8 | 1 | 3 | 0 | 42 | 344.458 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.59 | 11.48 | -41.8 | 2 | 3 | 1 | 43 | 345.466 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 11 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 11 | 0.43 | Functional ≤ 10μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 31 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
