| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 28 | No |
Popular Name: (E)-3-(4-tert-butylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide (E)-3-(4-tert-butylphenyl)-N-[[3…
| 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) | 4.20 | 6.92 | -14.9 | 2 | 5 | 0 | 75 | 404.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | 7.11 | -45.35 | 1 | 5 | -1 | 77 | 403.499 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 490 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 490 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
