| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2005 | 23 | Yes |
Popular Name: BRD-K32256984-300-01-9 BRD-K32256984-300-01-9
| 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) | 3.18 | 12.05 | -43.85 | 1 | 3 | 1 | 22 | 306.433 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 9.66 | -8.21 | 0 | 3 | 0 | 21 | 305.425 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.18 | 12.51 | -87.56 | 2 | 3 | 2 | 24 | 307.441 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R-1-E | 5-hydroxytryptamine Receptor 6 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 370 | 0.39 | Functional ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3980 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 160 | 0.41 | Functional ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 370 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors | |
| Serotonin receptors |
