| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 16 | No |
| 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) | 1.74 | 6.66 | -43.89 | 4 | 4 | 1 | 54 | 241.384 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 6.17 | -16.06 | 3 | 4 | 0 | 53 | 240.376 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 6.2 | -22.25 | 3 | 4 | 0 | 55 | 240.376 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 6.19 | -74.24 | 4 | 4 | 2 | 56 | 242.392 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH2-2-E | Histamine H2 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.44 | Binding ≤ 10μM |
| HRH4-2-E | Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 25 | 0.67 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 25.1188643 | 0.67 | Binding ≤ 1μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 10000 | 0.44 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 25.1188643 | 0.67 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors |
