UCSF

ZINC36184562

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

Popular Name: tert-butyl-tetrahydroxy-methyl-BLAHtrione tert-butyl-tetrahydroxy-methyl-B…

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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) -3.29 -3.54 -21.59 4 11 0 169 440.401 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4260 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_CAVPO P21556 Platelet Activating Factor Receptor, Guinea Pig 4260 0.24 Binding ≤ 10μM

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