UCSF

ZINC14655907

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 30 Yes

Popular Name: piericidin A piericidin A

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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) 4.83 7.55 -9.74 2 5 0 72 415.574 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100771-2-O Mitochondrial Complex I (cluster #2 Of 2), Other Other 5 0.39 Binding ≤ 10μM
Z81137-1-O L929 (Fibroblast Cells) (cluster #1 Of 2), Other Other 0 0.00 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100771 Z100771 Mitochondrial Complex I 5 0.39 Binding ≤ 1μM
Z100771 Z100771 Mitochondrial Complex I 5 0.39 Binding ≤ 10μM
Z81137 Z81137 L929 (Fibroblast Cells) 0.43 0.44 ADME/T ≤ 10μM

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