UCSF

ZINC27316792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 28 Yes

Popular Name: 5-[(6-methyl-3-pyridyl)methyl]-2-(6-phenylhexylsulfanyl)pyrimidin-4-ol 5-[(6-methyl-3-pyridyl)methyl]-2…

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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) 5.30 12.76 -10.88 1 4 0 59 393.556 10 ↓
Lo Low (pH 4.5-6) 5.30 12.65 -48.18 2 4 1 60 394.564 10 ↓

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 3), Eukaryotic Eukaryotes 1100 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PAFA_HUMAN Q13093 LDL-associated Phospholipase A2, Human 1100 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis, secretion, and deacylation of Ghrelin

Rings

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

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