UCSF

ZINC36177353

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 34 Yes

Popular Name: (1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-5-propyl-octyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-y (1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1…

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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) 8.53 13.78 -1.88 2 4 0 59 482.79 19 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100771-1-O Mitochondrial Complex I (cluster #1 Of 2), Other Other 1500 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100771 Z100771 Mitochondrial Complex I 1500 0.24 Binding ≤ 10μM

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