UCSF

ZINC34383558

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 14 Yes

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) -1.28 -2.95 -32.04 5 5 1 85 206.262 3
Hi High (pH 8-9.5) -1.28 -2.18 -38.11 4 5 0 88 205.254 3

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 2000 0.57 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 7000 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9LGC6_ORYSJ Q9LGC6 Alpha-glucosidase, Orysj 2000 0.57 Binding ≤ 10μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 1400 0.59 Binding ≤ 10μM

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