UCSF

ZINC06483691

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 29 Yes

Popular Name: (3,4,5-trimethoxyphenyl)BLAHone (3,4,5-trimethoxyphenyl)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) 2.31 2.53 -18.7 0 7 0 72 398.411 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 5), Other Other 2000 0.28 Functional ≤ 10μM
Z50651-2-O Vesicular Stomatitis Virus (cluster #2 Of 2), Other Other 2000 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50602 Z50602 Human Herpesvirus 1 2000 0.28 Functional ≤ 10μM
Z50651 Z50651 Vesicular Stomatitis Virus 2000 0.28 Functional ≤ 10μM

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