| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 19 | Yes |
Popular Name: Methanone, (7-methyl-1H-benzimidazol-2-yl)(4-methyl-1-piperazinyl)- Methanone, (7-methyl-1H-benzimid…
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CAS Number: 669083-56-1
| 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) | 1.26 | 4.15 | -7.16 | 1 | 5 | 0 | 52 | 258.325 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 6.51 | -41.03 | 2 | 5 | 1 | 53 | 259.333 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 6.51 | -40.8 | 2 | 5 | 1 | 53 | 259.333 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH4-1-E | Histamine H4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 30 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 30 | 0.55 | Binding ≤ 1μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 30 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
