| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 28 | Yes |
Popular Name: 1-[(1-acetyl-4-piperidylidene)-chloro-BLAHyl]ethanone 1-[(1-acetyl-4-piperidylidene)-c…
| 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) | 3.37 | 11.64 | -13.61 | 0 | 4 | 0 | 50 | 394.902 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1160 | 0.30 | Binding ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 2080 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 1160 | 0.30 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 2080 | 0.28 | Functional ≤ 10μM |
