UCSF

ZINC00057691

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 Yes

Popular Name: 2'-Methoxy-b-Naphthoflavone 2'-Methoxy-b-Naphthoflavone

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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) 4.91 2.47 -14.42 0 3 0 39 302.329 2 ↓

Vendor Notes

Note Type Comments Provided By
M.P. 188-189 C Indofine
MP 188-189o C Indofine
APPEARANCE Off white crystals Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AHR-1-E Aryl Hydrocarbon Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 270 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AHR_HUMAN P35869 Aryl Hydrocarbon Receptor, Human 270 0.40 Functional ≤ 10μM

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

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