| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 18 | Yes |
Popular Name: 2-((3-Trifluoromethyl)phenyl)histaminedimaleate 2-((3-Trifluoromethyl)phenyl)his…
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CAS Number: 162049-83-4
| 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) | 2.14 | 4.72 | -46 | 4 | 3 | 1 | 56 | 256.251 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 5.13 | -106.57 | 5 | 3 | 2 | 58 | 257.259 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH4-2-E | Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1259 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 1258.92541 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.