| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 24 | Yes |
Popular Name: 3-[2-(3,4-dichlorophenyl)ethyl]-1-(5-isoquinolyl)urea 3-[2-(3,4-dichlorophenyl)ethyl]-…
| 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) | 4.60 | 8.21 | -16.93 | 2 | 4 | 0 | 54 | 360.244 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.60 | 8.65 | -51.56 | 3 | 4 | 1 | 55 | 361.252 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-2-E | Vanilloid Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 17 | 0.45 | Binding ≤ 10μM |
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 17 | 0.45 | Binding ≤ 1μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 17 | 0.45 | Binding ≤ 10μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 10 | 0.47 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
