UCSF

ZINC00265037

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 No

Popular Name: 4H-1-Benzopyran-4-one, 2-(2-nitrophenyl)- (9CI) 4H-1-Benzopyran-4-one, 2-(2-nitr…

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CAS Number: 53277-26-2

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) 3.65 8.9 -18.17 0 5 0 76 267.24 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80596-1-O WISH (Amniotic Epithelial Cells) (cluster #1 Of 1), Other Other 3000 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80596 Z80596 WISH (Amniotic Epithelial Cells) 3000 0.39 Functional ≤ 10μM

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

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