| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 27 | Yes |
Popular Name: (2S)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropyl-propanamide (2S)-2-[2-(4-chlorophenyl)-1H-in…
| 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) | 6.05 | 13.03 | -9.41 | 1 | 3 | 0 | 36 | 382.935 | 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 | 800 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 800 | 0.32 | Binding ≤ 1μM |
| TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 800 | 0.32 | Binding ≤ 10μM |
