| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 20 | Yes |
Popular Name: 4-[5-(trifluoromethyl)-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one 4-[5-(trifluoromethyl)-1,3-dihyd…
| 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) | 3.94 | 5.21 | -9.45 | 2 | 3 | 0 | 49 | 278.233 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.94 | 5.64 | -33.02 | 3 | 3 | 1 | 50 | 279.241 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101843-1-O | Human Coxsackievirus B2 (cluster #1 Of 3), Other | Other | 5000 | 0.37 | Functional ≤ 10μM |
| Z101896-1-O | Mammalian Orthoreovirus 1 (cluster #1 Of 1), Other | Other | 7000 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101843 | Z101843 | Human Coxsackievirus B2 | 5000 | 0.37 | Functional ≤ 10μM |
| Z101896 | Z101896 | Mammalian Orthoreovirus 1 | 7000 | 0.36 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.