| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2010 | 31 | Yes |
Popular Name: 7-[3-(trifluoromethyl)-2-pyridyl]-N-[5-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine 7-[3-(trifluoromethyl)-2-pyridyl…
| 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) | 5.13 | 11.82 | -14.45 | 1 | 5 | 0 | 64 | 435.331 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.13 | 12.28 | -34.71 | 2 | 5 | 1 | 65 | 436.339 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 0.85 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
