UCSF

ZINC14096012

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 33 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) 7.18 17.36 -103.53 0 6 -2 102 461.643 20

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PAFA-1-E LDL-associated Phospholipase A2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3400 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAFA_BOVIN Q28017 LDL-associated Phospholipase A2, Bovin 3400 0.23 Functional ≤ 10μM

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