| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 8th, 2009 | 17 | Yes |
| 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) | 1.81 | 9.7 | -85.61 | 2 | 4 | 2 | 27 | 232.331 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 6.88 | -8.41 | 0 | 4 | 0 | 24 | 230.315 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 9.23 | -41.87 | 1 | 4 | 1 | 26 | 231.323 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 320 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 320 | 0.53 | Functional ≤ 10μM |
