UCSF

ZINC00359756

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-(2-Benzyloxy-benzylamino)-phenol 4-(2-Benzyloxy-benzylamino)-phenol

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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) 4.32 7.56 -6.51 2 3 0 41 305.377 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
UNG-1-V Uracil-DNA Glycosylase (cluster #1 Of 1), Viral Viruses 5100 0.32 Binding ≤ 10μM
Z50600-2-O Vaccinia Virus (cluster #2 Of 2), Other Other 7100 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
UNG_VACCW P04303 Uracil-DNA Glycosylase, Vaccw 5100 0.32 Binding ≤ 10μM
Z50600 Z50600 Vaccinia Virus 7100 0.31 Functional ≤ 10μM

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

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