| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 8th, 2009 | 23 | 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) | 3.41 | 12.98 | -44.62 | 1 | 4 | 1 | 26 | 307.421 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 10.63 | -8.63 | 0 | 4 | 0 | 24 | 306.413 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 13.44 | -91.37 | 2 | 4 | 2 | 27 | 308.429 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 17 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_CAVPO | P31389 | Histamine H1 Receptor, Guinea Pig | 17 | 0.47 | Functional ≤ 10μM |
