UCSF

ZINC28821172

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 44 No

Popular Name: (2S)-4-[(12R)-12-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1,12-dihydroxydodecyl]tetrahydrofuran-2-yl]tetrahydrofu (2S)-4-[(12R)-12-[(2R,5R)-5-[(2R…

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Annotations

Vendors

    None

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) 8.85 15.83 -14.52 3 7 0 105 622.928 26 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80928-1-O HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other Other 35 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 35 0.24 Functional ≤ 10μM

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