UCSF

ZINC44117773

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 39 No

Popular Name: [(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]-dimethyl-BLAHdione [(2R,3R,4S,5S,6S)-3,4-dihydroxy-…

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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) 2.02 4.24 -15.62 3 10 0 128 529.549 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80035-1-O B16 (Melanoma Cells) (cluster #1 Of 7), Other Other 8000 0.18 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80035 Z80035 B16 (Melanoma Cells) 8000 0.18 Functional ≤ 10μM

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