| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 30 | Yes |
Popular Name: 3-(4-tert-butylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)-5-vinyl-phenyl]methyl]propanamide 3-(4-tert-butylphenyl)-N-[[3-flu…
| 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) | 4.77 | 8.47 | -16.51 | 2 | 5 | 0 | 75 | 432.561 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.77 | 8.57 | -45.13 | 1 | 5 | -1 | 77 | 431.553 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 25 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 25 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
