| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 22 | No |
Popular Name: 1-(3,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea 1-(3,4-dimethoxyphenyl)-3-(3-imi…
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) | 0.95 | 8.23 | -47.89 | 3 | 6 | 1 | 62 | 321.426 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 7.72 | -18.89 | 2 | 6 | 0 | 60 | 320.418 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT-1-E | Glutaminyl-peptide Cyclotransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 60 | 0.46 | Binding ≤ 1μM |
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 60 | 0.46 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
