UCSF

ZINC45388829

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 26 Yes

Popular Name: (3-hydroxy-4-methoxy-phenyl)BLAHone (3-hydroxy-4-methoxy-phenyl)BLAHone

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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) 3.64 6.57 -13.49 1 6 0 74 350.326 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50606-2-O Hepatitis B Virus (cluster #2 Of 3), Other Other 60 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50606 Z50606 Hepatitis B Virus 140 0.37 Functional ≤ 10μM

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