| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 20 | Yes |
Popular Name: (2R,3R)-2,5-diphenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (2R,3R)-2,5-diphenyl-6-oxa-4-aza…
| 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) | 3.33 | 7.35 | -6.88 | 0 | 3 | 0 | 39 | 263.296 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254-1-V | Human Rhinovirus A Protease (cluster #1 Of 3), Viral | Viruses | 700 | 0.43 | Binding ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 1), Other | Other | 1800 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254_9ENTO | Q4U254 | Human Rhinovirus A Protease, 9ento | 700 | 0.43 | Binding ≤ 1μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 1800 | 0.40 | Binding ≤ 10μM |
| Q4U254_9ENTO | Q4U254 | Human Rhinovirus A Protease, 9ento | 700 | 0.43 | Binding ≤ 10μM |
