UCSF

ZINC06060632

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 20 Yes

Popular Name: 3-hydroxy-2-styryl-chromen-4-one 3-hydroxy-2-styryl-chromen-4-one

Find On: PubMed — Wikipedia — Google

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) 4.14 7.94 -9.1 1 3 0 50 264.28 2 ↓
Mid Mid (pH 6-8) 4.14 8.73 -54.92 0 3 -1 53 263.272 2 ↓
Mid Mid (pH 6-8) 4.14 8.75 -55.48 0 3 -1 53 263.272 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50622-1-O Human Rhinovirus 1B (cluster #1 Of 2), Other Other 5130 0.37 Functional ≤ 10μM
Z50679-1-O Human Rhinovirus 14 (cluster #1 Of 2), Other Other 9760 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50679 Z50679 Human Rhinovirus 14 9760 0.35 Functional ≤ 10μM
Z50622 Z50622 Human Rhinovirus 1B 5130 0.37 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.