| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 33 | Yes |
Popular Name: N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-benzimidazol-5-yl]cyclohexanecarboxamide N-[2-[4-(cyclohexanecarbonylamin…
| 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) | 6.46 | 11.57 | -17.57 | 3 | 6 | 0 | 87 | 444.579 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.46 | 12 | -36.98 | 4 | 6 | 1 | 88 | 445.587 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101913-1-O | Modoc Virus (cluster #1 Of 1), Other | Other | 50 | 0.31 | Functional ≤ 10μM |
| Z102079-1-O | Simian Virus 40 (cluster #1 Of 1), Other | Other | 1000 | 0.25 | Functional ≤ 10μM |
| Z50515-1-O | Human Herpesvirus 2 (cluster #1 Of 2), Other | Other | 170 | 0.29 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 200 | 0.28 | Functional ≤ 10μM |
| Z50645-1-O | Murine Hepatitis Virus (cluster #1 Of 1), Other | Other | 20 | 0.33 | Functional ≤ 10μM |
| Z50651-1-O | Vesicular Stomatitis Virus (cluster #1 Of 2), Other | Other | 1000 | 0.25 | Functional ≤ 10μM |
| Z50665-1-O | Enterovirus (cluster #1 Of 1), Other | Other | 160 | 0.29 | Functional ≤ 10μM |
| Z50795-1-O | San Angelo Virus (cluster #1 Of 1), Other | Other | 200 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50665 | Z50665 | Enterovirus | 160 | 0.29 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 170 | 0.29 | Functional ≤ 10μM |
| Z101913 | Z101913 | Modoc Virus | 50 | 0.31 | Functional ≤ 10μM |
| Z50645 | Z50645 | Murine Hepatitis Virus | 20 | 0.33 | Functional ≤ 10μM |
| Z50795 | Z50795 | San Angelo Virus | 200 | 0.28 | Functional ≤ 10μM |
| Z102079 | Z102079 | Simian Virus 40 | 1000 | 0.25 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 200 | 0.28 | Functional ≤ 10μM |
| Z50651 | Z50651 | Vesicular Stomatitis Virus | 1000 | 0.25 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.