| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2006 | 17 | Yes |
Popular Name: 2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-3-ylacetic acid; nsc141566 2,3-dihydro-1H-pyrrolo[3,4-b]qui…
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) | 1.22 | 5.61 | -43.36 | 2 | 4 | 0 | 70 | 228.251 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 4.22 | -51.55 | 1 | 4 | -1 | 65 | 227.243 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTPRA-1-E | Receptor-type Tyrosine-protein Phosphatase Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8100 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTPRA_HUMAN | P18433 | Receptor-type Tyrosine-protein Phosphatase Alpha, Human | 5500 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| NCAM signaling for neurite out-growth |
