UCSF

ZINC29047874

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 44 No

Popular Name: [(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[12-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)te [(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) -1.12 -5.17 -333.8 6 18 -4 303 682.546 21 ↓
Mid Mid (pH 6-8) -1.12 -6.33 -218 7 18 -3 300 683.554 21 ↓
Lo Low (pH 4.5-6) -1.12 -7.48 -112.25 8 18 -2 297 684.562 21 ↓

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 3700 0.17 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 3700 0.17 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Golgi Associated Vesicle Biogenesis

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