UCSF

ZINC05742707

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 28 Yes

Popular Name: bis(4-hydroxyphenyl)BLAHone bis(4-hydroxyphenyl)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) 5.00 -1.29 -13.65 2 4 0 66 368.388 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYSY-1-B Thymidylate Synthase (cluster #1 Of 1), Bacterial Bacteria 2800 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYSY_ECOLI P0A884 Thymidylate Synthase, Ecoli 2800 0.28 Binding ≤ 10μM

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

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