UCSF

ZINC29048102

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 40 No

Popular Name: [(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)tet [(2R,3S,4S,5S,6S)-3,4,5-trihydro…

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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) -3.14 -8.29 -350.34 6 18 -4 303 626.438 17 ↓
Mid Mid (pH 6-8) -3.14 -9.45 -226.37 7 18 -3 300 627.446 17 ↓
Lo Low (pH 4.5-6) -3.14 -10.61 -116.39 8 18 -2 297 628.454 17 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MPRI-1-E Insulin-like Growth Factor II Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5030 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MPRI_HUMAN P11717 Insulin-like Growth Factor II Receptor, Human 5030 0.19 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Golgi Associated Vesicle Biogenesis

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