| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 43 | No |
Popular Name: N-(2-aminoethyl)-3-(ethyl-tetramethyl-oxo-vinyl-BLAHyl)propanamide N-(2-aminoethyl)-3-(ethyl-tetram…
None
| 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) | 5.59 | 12.37 | -84.79 | 7 | 8 | 2 | 132 | 578.761 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.59 | 11.99 | -33.3 | 6 | 8 | 1 | 131 | 577.753 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TSPOA-1-E | Translocator Protein (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5600 | 0.17 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TSPOA_HUMAN | P30536 | Translocator Protein, Human | 5600 | 0.17 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
