UCSF

ZINC28569326

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 30 No

Other Names:

LAWSARITOL

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) 8.62 13.55 -3.07 1 1 0 20 414.718 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9N1N9-2-E Butyrylcholinesterase (cluster #2 Of 2), Eukaryotic Eukaryotes 3900 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9N1N9_HORSE Q9N1N9 Butyrylcholinesterase, Horse 3700 0.25 Binding ≤ 10μM

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