UCSF

ZINC26500861

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 24 Yes

Popular Name: [4-[(2R,3R)-7-oxo-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-2-yl]phenyl] [4-[(2R,3R)-7-oxo-5-phenyl-6-oxa…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 2.88 8.58 -11.51 0 5 0 65 321.332 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q4U254-1-V Human Rhinovirus A Protease (cluster #1 Of 3), Viral Viruses 1200 0.35 Binding ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 1), Other Other 1100 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50530 Z50530 Human Herpesvirus 5 1100 0.35 Binding ≤ 10μM
Q4U254_9ENTO Q4U254 Human Rhinovirus A Protease, 9ento 1200 0.35 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )