UCSF

ZINC20995028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 35 Yes

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) 3.15 7.37 -23.51 2 8 0 107 489.553 8
Hi High (pH 8-9.5) 3.15 6.79 -67.02 1 8 -1 109 488.545 8

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 2 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104292 Z104292 Integrin Alpha-V/beta-3 1.6 0.35 Binding ≤ 1μM
Z104292 Z104292 Integrin Alpha-V/beta-3 1.6 0.35 Binding ≤ 10μM

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