| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 23 | Yes |
Popular Name: 4-methyl-N-[(1R)-2,2,2-trichloro-1-[(4-chlorophenyl)thio]ethyl]benzamide 4-methyl-N-[(1R)-2,2,2-trichloro…
| 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) | 6.14 | -0.95 | -4.86 | 1 | 2 | 0 | 29 | 409.165 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPA1-2-E | Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 4 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPA1_RAT | Q6RI86 | Transient Receptor Potential Cation Channel Subfamily A Member 1, Rat | 3.8 | 0.51 | Functional ≤ 10μM |
| TRPA1_HUMAN | O75762 | Transient Receptor Potential Cation Channel Subfamily A Member 1, Human | 1400 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
