UCSF

ZINC03659223

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 33 No

Popular Name: 3-[2-[(Z)-[2,5-diketo-1-[2-keto-2-(p-toluidino)ethyl]imidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzo 3-[2-[(Z)-[2,5-diketo-1-[2-keto-…

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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) 2.65 11 -63.88 2 9 -1 129 443.439 6 ↓

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 18 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104292 Z104292 Integrin Alpha-V/beta-3 18 0.33 Binding ≤ 1μM
Z104292 Z104292 Integrin Alpha-V/beta-3 18 0.33 Binding ≤ 10μM

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