| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | Yes |
Popular Name: 1-[(4-tert-butylphenyl)methyl]-3-[(3-fluoro-4-methanesulfonamido-phenyl)methyl]urea 1-[(4-tert-butylphenyl)methyl]-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) | 3.58 | 5.1 | -13.84 | 3 | 6 | 0 | 87 | 407.511 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 300 | 0.33 | Binding ≤ 10μM |
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 710 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 300 | 0.33 | Binding ≤ 1μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 300 | 0.33 | Binding ≤ 10μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 710 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
