| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 31st, 2006 | 19 | No |
| 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) | 1.64 | 8.87 | -14.82 | 2 | 4 | 0 | 42 | 274.393 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 9.39 | -42.77 | 3 | 4 | 1 | 43 | 275.401 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT-1-E | Glutaminyl-peptide Cyclotransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5670 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 5670 | 0.39 | Binding ≤ 10μM |
