In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 22 | No |
Popular Name: 1-(2,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea 1-(2,4-dimethoxyphenyl)-3-(3-imi…
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) | 1.34 | 7.72 | -44.24 | 3 | 6 | 1 | 62 | 321.426 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.34 | 7.2 | -16.28 | 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 | 560 | 0.40 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 560 | 0.40 | Binding ≤ 1μM |
QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 560 | 0.40 | Binding ≤ 10μM |