UCSF

ZINC27315743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 41 No

Popular Name: (2S)-3-[4-[(3R)-3-benzyl-2,5-dioxo-pyrrolidin-1-yl]phenyl]-2-[[(2S)-1-benzyl-5-oxo-pyrrolidine-2-car (2S)-3-[4-[(3R)-3-benzyl-2,5-dio…

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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) 0.73 15.4 -68.02 1 9 -1 127 552.607 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104293-1-O Integrin Alpha-4/beta-1 (cluster #1 Of 1), Other Other 123 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104293 Z104293 Integrin Alpha-4/beta-1 0.94 0.31 Binding ≤ 1μM
Z104293 Z104293 Integrin Alpha-4/beta-1 0.94 0.31 Binding ≤ 10μM

Rings

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

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