UCSF

ZINC13491171

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 19 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) 3.35 5.3 -15.7 2 5 0 71 321.855 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 2000 0.42 Functional ≤ 10μM
Z80700-1-O Beta-TC6 (Pancreatic Insulinoma Cells) (cluster #1 Of 1), Other Other 750 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80700 Z80700 Beta-TC6 (Pancreatic Insulinoma Cells) 750 0.45 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 2000 0.42 Functional ≤ 10μM

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