| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 28 | Yes |
Popular Name: 1-[4-(chloroBLAHylidene)-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-(chloroBLAHylidene)-1-piper…
| 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) | 5.15 | 12.64 | -9.82 | 0 | 3 | 0 | 33 | 394.946 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 5.15 | 12.8 | -44.89 | 1 | 3 | 1 | 34 | 395.954 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 81 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 81 | 0.35 | Binding ≤ 1μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 81 | 0.35 | Binding ≤ 10μM |
