UCSF

ZINC00118483

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 No

Popular Name: (3S)-3-[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]-6,7-dimethoxy-phthalide (3S)-3-[2-(3,4-dihydroxyphenyl)-…

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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) 1.81 4.1 -26.76 2 7 0 102 344.319 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLAP-1-E Phospholipase A-2-activating Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLAP_HUMAN Q9Y263 Phospholipase A-2-activating Protein, Human 3000 0.31 Binding ≤ 10μM

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

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