| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 20 | No |
Popular Name: 3-[3-(5-methylimidazol-1-yl)propyl]-1,4-dihydroquinazoline-2-thione 3-[3-(5-methylimidazol-1-yl)prop…
| 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) | 1.36 | 11.25 | -37.36 | 2 | 4 | 1 | 34 | 287.412 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 10.73 | -17.28 | 1 | 4 | 0 | 33 | 286.404 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT-1-E | Glutaminyl-peptide Cyclotransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 18 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 18 | 0.54 | Binding ≤ 1μM |
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 18 | 0.54 | Binding ≤ 10μM |
