| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 22 | No |
Popular Name: (2S)-2-(3-chloro-1,4-diketo-2-naphthyl)-3-keto-butyric-acid-ethyl-ester (2S)-2-(3-chloro-1,4-diketo-2-na…
| 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) | 1.31 | 3.54 | -13.13 | 0 | 5 | 0 | 77 | 320.728 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254-1-V | Human Rhinovirus A Protease (cluster #1 Of 3), Viral | Viruses | 4800 | 0.34 | Binding ≤ 10μM |
| Z80291-1-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #1 Of 3), Other | Other | 10000 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254_9ENTO | Q4U254 | Human Rhinovirus A Protease, 9ento | 1450 | 0.37 | Binding ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 10000 | 0.32 | Functional ≤ 10μM |
