| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 24 | Yes |
Popular Name: 3-[1-[3-(1-piperidyl)propyl]-4-piperidyl]-1,2-benzoxazole 3-[1-[3-(1-piperidyl)propyl]-4-p…
| 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) | 3.58 | 12.21 | -114.18 | 2 | 4 | 2 | 35 | 329.488 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 9.97 | -40.76 | 1 | 4 | 1 | 34 | 328.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 9.99 | -46.1 | 1 | 4 | 1 | 34 | 328.48 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-1-E | Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 57 | 0.42 | Binding ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 14 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 57 | 0.42 | Binding ≤ 1μM |
| ADA1B_RAT | P15823 | Alpha-1b Adrenergic Receptor, Rat | 14 | 0.46 | Binding ≤ 1μM |
| ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 57 | 0.42 | Binding ≤ 10μM |
| ADA1B_RAT | P15823 | Alpha-1b Adrenergic Receptor, Rat | 14 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events |
