UCSF

ZINC05600415

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 12 Yes

Popular Name: 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol 1,2,3,5,6,7,8,8a-octahydroindoli…

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Download: MOL2 SDF SMILES Flexibase

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) -1.34 -7.41 -35.34 4 4 1 65 174.22 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5962467 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MA2A1-1-E Alpha-mannosidase 2A1 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.58 Binding ≤ 10μM
MA2C1-1-E Alpha-mannosidase 2C1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1750 0.67 Binding ≤ 10μM
MA2C1-1-E Alpha-mannosidase 2C1 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MA2C1_RAT P21139 Alpha-mannosidase 2C1, Rat 1750 0.67 Binding ≤ 10μM
MA2A1_RAT P28494 Mannosidase 2 Alpha 1, Rat 10000 0.58 Binding ≤ 10μM

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