| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 23 | No |
Popular Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-imidazol-1-ylpropyl)thiourea 1-[(3,4-dimethoxyphenyl)methyl]-…
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) | 1.33 | 8.17 | -23.44 | 2 | 6 | 0 | 62 | 334.445 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 8.58 | -46.86 | 3 | 6 | 1 | 62 | 335.453 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 8.65 | -52.32 | 3 | 6 | 1 | 64 | 335.453 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 8.07 | -18.36 | 2 | 6 | 0 | 60 | 334.445 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT-1-E | Glutaminyl-peptide Cyclotransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1550 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 1550 | 0.35 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
