| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 27 | Yes |
Popular Name: 1-[4-(chloro-methoxy-BLAHylidene)-1-piperidyl]ethanone 1-[4-(chloro-methoxy-BLAHylidene…
| 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) | 3.69 | 10.48 | -11.04 | 0 | 4 | 0 | 42 | 382.891 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.69 | 10.75 | -44.12 | 1 | 4 | 1 | 44 | 383.899 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 430 | 0.33 | Binding ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 1480 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 430 | 0.33 | Binding ≤ 1μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 430 | 0.33 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1480 | 0.30 | Functional ≤ 10μM |
