UCSF

ZINC36143593

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 No

Popular Name: (1R,4R,5S)-1-[[(1R)-cyclohex-2-en-1-yl]methyl]-4-hexyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7 (1R,4R,5S)-1-[[(1R)-cyclohex-2-e…

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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) 4.64 8.43 -9.2 1 4 0 55 319.445 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100256-1-O Proteasome (cluster #1 Of 1), Other Other 12 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100256 Z100256 Proteasome 12 0.48 Binding ≤ 1μM
Z100256 Z100256 Proteasome 12 0.48 Binding ≤ 10μM

Rings

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

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