UCSF

ZINC49649487

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 29 No

Popular Name: 5-[(3S)-3-(2-furyl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic 5-[(3S)-3-(2-furyl)-5-[4-(methan…

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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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104292-1-O Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other Other 605 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104292 Z104292 Integrin Alpha-V/beta-3 605 0.30 Binding ≤ 1μM
Z104292 Z104292 Integrin Alpha-V/beta-3 605 0.30 Binding ≤ 10μM

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

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