| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 26 | No |
Popular Name: 3-dodecyl-1-[(4-hydroxy-3-methoxy-phenyl)methyl]isothiourea 3-dodecyl-1-[(4-hydroxy-3-methox…
| 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) | 6.55 | 10.33 | -11.22 | 3 | 4 | 0 | 55 | 380.598 | 15 | ↓ |
| Lo Low (pH 4.5-6) | 6.55 | 10.07 | -34.62 | 3 | 4 | 1 | 55 | 381.606 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 160 | 0.37 | Functional ≤ 10μM |
| TRPV2-1-E | Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 160 | 0.37 | Functional ≤ 10μM |
| TRPV4-1-E | Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 160 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV2_RAT | Q9WUD2 | Transient Receptor Potential Cation Channel Subfamily V Member 2, Rat | 160 | 0.37 | Functional ≤ 10μM |
| TRPV4_RAT | Q9ERZ8 | Transient Receptor Potential Cation Channel Subfamily V Member 4, Rat | 160 | 0.37 | Functional ≤ 10μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 160 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
