| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 22 | Yes |
Popular Name: (2R,3R,4R)-2-[5,6-dichloro-2-(isopropylamino)benzimidazol-1-yl]tetrahydrofuran-3,4-diol (2R,3R,4R)-2-[5,6-dichloro-2-(is…
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| 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) | 2.14 | 3.47 | -12.55 | 3 | 6 | 0 | 80 | 346.214 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 3.84 | -31.26 | 4 | 6 | 1 | 81 | 347.222 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 800 | 0.39 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 7900 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 1800 | 0.37 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 420 | 0.41 | Functional ≤ 10μM |
