In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 28 | Yes |
Popular Name: 2-[2-(4-ethoxyphenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethyl-acetamide 2-[2-(4-ethoxyphenyl)-5,7-dimeth…
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) | 3.55 | 10.92 | -18.03 | 0 | 6 | 0 | 60 | 380.492 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TSPO-1-E | Peripheral-type Benzodiazepine Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.41 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 5.7 | 0.41 | Binding ≤ 1μM |
TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 5.7 | 0.41 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.