| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2007 | 30 | Yes |
Popular Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[4-(4-ethylphenyl)thiazol-2-yl]-acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-…
| 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) | 2.51 | -0.16 | -21.55 | 1 | 9 | 0 | 103 | 424.486 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 0.12 | -59.9 | 2 | 9 | 1 | 105 | 425.494 | 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 | 1000 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPA1_HUMAN | O75762 | Transient Receptor Potential Cation Channel Subfamily A Member 1, Human | 1000 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
