| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 24 | No |
Popular Name: N-(3-imidazol-1-ylpropyl)-2,2-diphenyl-thioacetamide N-(3-imidazol-1-ylpropyl)-2,2-di…
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) | 3.70 | 13.07 | -43.1 | 0 | 3 | -1 | 30 | 334.468 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 13.08 | -40.48 | 2 | 3 | 1 | 31 | 336.484 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 13.4 | -17.46 | 1 | 3 | 0 | 32 | 335.476 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 12.51 | -12.63 | 1 | 3 | 0 | 30 | 335.476 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.70 | 13.55 | -53.82 | 1 | 3 | 0 | 31 | 335.476 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.70 | 13.89 | -49.1 | 2 | 3 | 1 | 33 | 336.484 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT-1-E | Glutaminyl-peptide Cyclotransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4480 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| QPCT_HUMAN | Q16769 | Glutaminyl-peptide Cyclotransferase, Human | 4480 | 0.31 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
