| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 32 | Yes |
Popular Name: 17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1.alpha. 17-trifluoromethylphenyl-13,14-d…
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CAS Number: 1027401-98-4
| 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) | 4.79 | 7.14 | -55.83 | 3 | 5 | -1 | 101 | 459.525 | 14 | ↓ |
| Lo Low (pH 4.5-6) | 4.79 | 6.02 | -18.21 | 4 | 5 | 0 | 98 | 460.533 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PF2R-1-E | Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.35 | Binding ≤ 10μM |
| PF2R-1-E | Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 85 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PF2R_HUMAN | P43088 | Prostanoid FP Receptor, Human | 8.6 | 0.35 | Binding ≤ 1μM |
| PF2R_HUMAN | P43088 | Prostanoid FP Receptor, Human | 8.6 | 0.35 | Binding ≤ 10μM |
| PF2R_HUMAN | P43088 | Prostanoid FP Receptor, Human | 85 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Prostanoid ligand receptors |
No pre-computed analogs available. Try a structural similarity search.