UCSF

ZINC00406883

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 No

Popular Name: 7,8-Dihydroxy-4-phenyl-2H-chromen-2-one 7,8-Dihydroxy-4-phenyl-2H-chrome…

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CAS Numbers: , 842-01-3 , [842-01-3]

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) 2.97 -0.59 -13.32 2 4 0 70 254.241 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 8.29e-02 g/l DrugBank-experimental
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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