| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 28 | No |
Popular Name: [4-(3-phenylpropyl)piperazin-1-yl]-[(2S,4R)-2-(3-pyridyl)thiazolidin-4-yl]methanone [4-(3-phenylpropyl)piperazin-1-y…
| 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) | 2.37 | 8.5 | -42.09 | 2 | 5 | 1 | 53 | 397.568 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 7.4 | -12.34 | 1 | 5 | 0 | 48 | 396.56 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 9.6 | -56.83 | 2 | 5 | 1 | 50 | 397.568 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | 11.21 | -186.85 | 4 | 5 | 3 | 55 | 399.584 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | 10.05 | -94.74 | 3 | 5 | 2 | 51 | 398.576 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTAFR-2-E | Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTAFR_HUMAN | P25105 | Platelet Activating Factor Receptor, Human | 2.3 | 0.43 | Binding ≤ 1μM |
| PTAFR_HUMAN | P25105 | Platelet Activating Factor Receptor, Human | 2.3 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (q) signalling events | |
| Interferon gamma signaling |
