UCSF

ZINC49938357

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 41 No

Popular Name: (5R,5aR,8aR,9S)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-(3, (5R,5aR,8aR,9S)-9-[(2S,3R,4S,5S,…

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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) -0.25 -0.93 -20.77 4 13 0 172 576.551 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80866-1-O GLC4 Cell Line (cluster #1 Of 1), Other Other 10000 0.17 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80866 Z80866 GLC4 Cell Line 10000 0.17 Functional ≤ 10μM

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