UCSF

ZINC01678641

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 28 Yes

Popular Name: 1,2,3-trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene 1,2,3-trimethoxy-7-(3,4,5-trimet…

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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) 4.35 3.69 -13.3 0 6 0 55 384.428 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0-1-V N1L (cluster #1 Of 1), Viral Viruses 900 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q49PX0_9POXV Q49PX0 N1L, 9poxv 900 0.30 Binding ≤ 1μM
Q49PX0_9POXV Q49PX0 N1L, 9poxv 1600 0.29 Binding ≤ 10μM

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

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