UCSF

ZINC36243084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 13 Yes

Popular Name: (1R,2S,3S,4S,5R)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol (1R,2S,3S,4S,5R)-5-amino-1-(hydr…

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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) -3.61 -10.09 -46.87 8 6 1 129 194.207 1 ↓
Hi High (pH 8-9.5) -3.61 -10.47 -6.02 7 6 0 127 193.199 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 2200 0.61 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 49 0.79 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 49 0.79 Binding ≤ 1μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 2200 0.61 Binding ≤ 10μM
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 49 0.79 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Digestion of dietary carbohydrate

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

No pre-computed analogs available. Try a structural similarity search.