| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 19 | No |
Popular Name: 3-(3-imidazol-1-ylpropyl)-1,4-dihydroquinazoline-2-thione 3-(3-imidazol-1-ylpropyl)-1,4-di…
| 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) | 1.13 | 10.76 | -38.33 | 2 | 4 | 1 | 34 | 273.385 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 10.25 | -16.9 | 1 | 4 | 0 | 33 | 272.377 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT-1-E | Glutaminyl-peptide Cyclotransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 300 | 0.48 | Binding ≤ 1μM |
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 300 | 0.48 | Binding ≤ 10μM |
