| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 25 | Yes |
| 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) | 3.49 | 11.18 | -11.47 | 0 | 3 | 0 | 33 | 352.865 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 11.35 | -43.76 | 1 | 3 | 1 | 34 | 353.873 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.33 | Binding ≤ 10μM |
| PTAFR-1-E | Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3400 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 1500 | 0.33 | Binding ≤ 10μM |
| PTAFR_HUMAN | P25105 | Platelet Activating Factor Receptor, Human | 3400 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (q) signalling events | |
| Interferon gamma signaling |
