UCSF

ZINC36338463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 No

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) 1.30 0.11 -33.5 5 5 1 85 276.397 8
Hi High (pH 8-9.5) 1.30 0.61 -40.29 4 5 0 88 275.389 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9LGC6-1-E Alpha-glucosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.52 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 660 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9LGC6_ORYSJ Q9LGC6 Alpha-glucosidase, Orysj 80 0.52 Binding ≤ 1μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 280 0.48 Binding ≤ 1μM
Q9LGC6_ORYSJ Q9LGC6 Alpha-glucosidase, Orysj 80 0.52 Binding ≤ 10μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 1500 0.43 Binding ≤ 10μM

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