| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 21 | No |
Popular Name: 3-heptyl-1-[(4-hydroxy-3-methoxy-phenyl)methyl]isothiourea 3-heptyl-1-[(4-hydroxy-3-methoxy…
| 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) | 4.02 | 6.43 | -11.39 | 3 | 4 | 0 | 55 | 310.463 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.02 | 6.16 | -34.63 | 3 | 4 | 1 | 55 | 311.471 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 290 | 0.44 | Functional ≤ 10μM |
| TRPV2-1-E | Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 290 | 0.44 | Functional ≤ 10μM |
| TRPV4-1-E | Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 290 | 0.44 | Functional ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 100 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 100 | 0.47 | Functional ≤ 10μM |
| TRPV2_RAT | Q9WUD2 | Transient Receptor Potential Cation Channel Subfamily V Member 2, Rat | 290 | 0.44 | Functional ≤ 10μM |
| TRPV4_RAT | Q9ERZ8 | Transient Receptor Potential Cation Channel Subfamily V Member 4, Rat | 290 | 0.44 | Functional ≤ 10μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 290 | 0.44 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
