| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 18 | Yes |
Popular Name: Cyclopropanecarboxamide, N-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyl- Cyclopropanecarboxamide, N-[4-hy…
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CAS Number: 696617-76-2
| 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) | 2.75 | 3.81 | -7.66 | 2 | 3 | 0 | 49 | 259.227 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3EZI9-1-V | Hepatitis C Virus NS3 Protease/helicase (cluster #1 Of 3), Viral | Viruses | 690 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3EZI9_9HEPC | A3EZI9 | Hepatitis C Virus NS3 Protease/helicase, 9hepc | 690 | 0.48 | Binding ≤ 1μM |
| A3EZI9_9HEPC | A3EZI9 | Hepatitis C Virus NS3 Protease/helicase, 9hepc | 690 | 0.48 | Binding ≤ 10μM |
